4,5-Diamino-o-anisic acid
TL;DR: 4,5-Diamino-o-anisic acid (CAS 59338-91-9) is a chemical compound with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-diamino-2-methoxybenzoic acid
Also Known As: 4,5-Diamino-o-anisic acid, 4,5-diamino-2-methoxybenzoic acid, 2-methoxy-4,5-diaminobenzoic acid, 2-methoxy 4,5-diamino benzoic acid, Benzoic acid,4,5-diamino-2-methoxy-, methyl ester
| Molecular Formula | C8H10N2O3 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 98.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.06914 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 59338-91-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)O)N)N |
| InChIKey | LYFZXIXVTGAHSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Diamino-o-anisic acid (CAS 59338-91-9), with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol. IUPAC: 4,5-diamino-2-methoxybenzoic acid.
Chemical Property Profile of 4,5-Diamino-o-anisic acid
Property Insights of 4,5-Diamino-o-anisic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Diamino-o-anisic acid. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Diamino-o-anisic acid. Following Lipinski's Rule of Five, 4,5-Diamino-o-anisic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-Diamino-o-anisic acid?
The CAS number of 4,5-Diamino-o-anisic acid is 59338-91-9.
What is the molecular formula of 4,5-Diamino-o-anisic acid?
The molecular formula of 4,5-Diamino-o-anisic acid is C8H10N2O3.
What is the molecular weight of 4,5-Diamino-o-anisic acid?
The molecular weight of 4,5-Diamino-o-anisic acid is 182.07 g/mol.
Where can I buy 4,5-Diamino-o-anisic acid?
You can request a quote for 4,5-Diamino-o-anisic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Diamino-o-anisic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Diamino-o-anisic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.