Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester
TL;DR: Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester (CAS 59338-85-1) is a chemical compound with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-diamino-2-methoxybenzoate
Also Known As: methyl 4,5-diamino-2-methoxybenzoate, Methyl 4,5-diamino-o-anisate, Methyl4,5-diamino-2-methoxybenzoate, methyl-4,5-diamino-2-methoxybenzoate, methyl 4,5-diamino-2-methoxy-benzoate
| Molecular Formula | C9H12N2O3 |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0848 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 59338-85-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)OC)N)N |
| InChIKey | SUSCULWPEGQASI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester (CAS 59338-85-1), with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol. IUPAC: methyl 4,5-diamino-2-methoxybenzoate.
Chemical Property Profile of Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester
Property Insights of Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester has 2 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 Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester?
The CAS number of Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester is 59338-85-1.
What is the molecular formula of Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester?
The molecular formula of Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester is C9H12N2O3.
What is the molecular weight of Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester?
The molecular weight of Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester is 196.08 g/mol.
Where can I buy Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester?
You can request a quote for Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.