3,5-Diamino-2-methylbenzoic acid
TL;DR: 3,5-Diamino-2-methylbenzoic acid (CAS 38222-85-4) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4-diaminobenzoate
Also Known As: Methyl 3,4-diaminobenzoate, Ethylmethylsulfide, Methyl3,4-diaminobenzoate, 3,4-diaminobenzoic acid methyl ester, methyl-3,4-diaminobenzoate
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 38222-85-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N)N |
| InChIKey | IOPLHGOSNCJOOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Diamino-2-methylbenzoic acid (CAS 38222-85-4), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: methyl 3,4-diaminobenzoate.
Chemical Property Profile of 3,5-Diamino-2-methylbenzoic acid
Property Insights of 3,5-Diamino-2-methylbenzoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diamino-2-methylbenzoic acid. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diamino-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3,5-Diamino-2-methylbenzoic acid has 2 hydrogen bond donor(s) and 4 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 3,5-Diamino-2-methylbenzoic acid?
The CAS number of 3,5-Diamino-2-methylbenzoic acid is 38222-85-4.
What is the molecular formula of 3,5-Diamino-2-methylbenzoic acid?
The molecular formula of 3,5-Diamino-2-methylbenzoic acid is C8H10N2O2.
What is the molecular weight of 3,5-Diamino-2-methylbenzoic acid?
The molecular weight of 3,5-Diamino-2-methylbenzoic acid is 166.07 g/mol.
Where can I buy 3,5-Diamino-2-methylbenzoic acid?
You can request a quote for 3,5-Diamino-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diamino-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diamino-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.