≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)O)OC)C |
|---|---|
| IUPAC Name | 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid |
| InChIKey | AMLPCXFISSPPBJ-MRXNPFEDSA-N |
| INCHI | 1S/C22H27N5O4/c1-4-16-20(28)26(2)17-12-23-22(25-19(17)27(16)14-7-5-6-8-14)24-15-10-9-13(21(29)30)11-18(15)31-3/h9-12,14,16H,4-8H2,1-3H3,(H,29,30)(H,23,24,25)/t16-/m1/s1 |
| Molecular Weight | 425.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Methoxybenzoic acids and derivatives |
| Direct Parent | M-methoxybenzoic acids and derivatives |
| Alternative Parents | Alpha amino acids and derivatives Pteridines and derivatives Methoxyanilines Benzoic acids Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Amino acids Secondary amines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | M-methoxybenzoic acid or derivatives - Alpha-amino acid or derivatives - Pteridine - Benzoic acid - Methoxyaniline - Anisole - Methoxybenzene - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Phenoxy compound - Phenol ether - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Pyrimidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Secondary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. |
| External Descriptors | Not available |
| Molecular Weight | 425.500 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 425.206 Da |
| Monoisotopic Mass | 425.206 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 658.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
