Sezolamide , CAS No.123308-22-5

CAS: 123308-22-5 Cat. No.: S667921 Molecular Weight: 338.5
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Synonyms
SEZOLAMIDE | Sezolamide [INN] | FC9C0XB7D4 | (4S)-4-(2-methylpropylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide | UNII-FC9C0XB7D4 | SEZOLAMIDE [WHO-DD] | JFLUCCKXAYBETQ-VIFPVBQESA-N | (S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydr
Storage
Room temperature
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Size
Status
Price
Qty
1mg
S667921-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
S667921-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
SEZOLAMIDE | Sezolamide [INN] | FC9C0XB7D4 | (4S)-4-(2-methylpropylamino)-7, 7-dioxo-5, 6-dihydro-4H-thieno[2, 3-b]thiopyran-2-sulfonamide | UNII-FC9C0XB7D4 | SEZOLAMIDE [WHO-DD] | JFLUCCKXAYBETQ-VIFPVBQESA-N | (S)-4-Isobutylamino-7, 7-dioxo-4, 5, 6, 7-tetrahydr
Storage
Room temperature
Product Properties
ALogP0.9
Names and Identifiers
Canonical SmilesCC(C)CNC1CCS(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N
IUPAC Name(4S)-4-(2-methylpropylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
InChIKeyJFLUCCKXAYBETQ-VIFPVBQESA-N
INCHI1S/C11H18N2O4S3/c1-7(2)6-13-9-3-4-19(14,15)11-8(9)5-10(18-11)20(12,16)17/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,16,17)/t9-/m0/s1
Isomeric SMILES CC(C)CN[C@H]1CCS(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N
Molecular Weight 338.5
Reaxy-Rn 3655660
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3655660&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassThiophenes
Subclass2,3,5-trisubstituted thiophenes
Intermediate Tree Nodes Not available
Direct Parent2,3,5-trisubstituted thiophenes
Alternative Parents Aralkylamines  Thiopyrans  Organosulfonamides  Sulfones  Heteroaromatic compounds  Aminosulfonyl compounds  Dialkylamines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2,3,5-trisubstituted thiophene - Aralkylamine - Organosulfonic acid amide - Thiopyran - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Secondary aliphatic amine - Secondary amine - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2,3,5-trisubstituted thiophenes. These are organic compounds containing a thiophene that is trisubstituted at the C-2, C3- and C5-positions.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CA2 Tclin Carbonic anhydrase 2 (12 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight338.500 g/mol
XLogP30.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass338.043 Da
Monoisotopic Mass338.043 Da
Topological Polar Surface Area151.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity547.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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