2-Iodoestradiol , CAS No.24381-12-2

Name: 2-Iodoestradiol , CAS No.24381-12-2
Brand: Aladdin Scientific
SKU: I667946
Availability: InStock

CAS: 24381-12-2 Cat. No.: I667946 Molecular Weight: 398.3 PubChem CID: 68574

COA

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2-Iodoestradiol - CAS No(24381-12-2) by Aladdin Scientific

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AVAILABLE TO ORDER

Synonyms

Storage

Room temperature

Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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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

Storage

Room temperature

Product Properties

ALogP	4.7

Names and Identifiers

Canonical Smiles	CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)I)O
IUPAC Name	(8R,9S,13S,14S,17S)-2-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChIKey	JZYOQPBSKIOCIK-XSSYPUMDSA-N
INCHI	1S/C18H23IO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
Isomeric SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)I)O
PubChem CID	68574
Molecular Weight	398.3

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Estrane steroids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Estrane steroids
Intermediate Tree Nodes	Not available
Direct Parent	Estrogens and derivatives
Alternative Parents	Halogenated steroids 3-hydroxysteroids 17-hydroxysteroids Phenanthrenes and derivatives Tetralins O-iodophenols 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Secondary alcohols Cyclic alcohols and derivatives Organoiodides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Estrogen-skeleton - 3-hydroxysteroid - 17-hydroxysteroid - 2-halo-steroid - Halo-steroid - Hydroxysteroid - Phenanthrene - Tetralin - 2-iodophenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Benzenoid - Aryl iodide - Cyclic alcohol - Secondary alcohol - Organoiodide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organohalogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

SHBG Tchem Sex hormone-binding globulin (1 Activities)

Discover Target: SHBG

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

A498 (42825 Activities)

Molecular Weight	398.300 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	398.074 Da
Monoisotopic Mass	398.074 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	414.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1