Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester
TL;DR: Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester (CAS 125629-01-8) is a chemical compound with molecular formula C8H7NO6 and molecular weight 213.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4-dihydroxy-5-nitrobenzoate
Also Known As: Methyl 3,4-dihydroxy-5-nitrobenzoate, Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester, Benzoic acid,3,4-dihydroxy-5-nitro-,methyl ester, RefChem:327019
| Molecular Formula | C8H7NO6 |
|---|---|
| Molecular Weight | 213.03 g/mol |
| LogP | 0.7926 |
| Topological Polar Surface Area | 109.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.02734 |
| Heavy Atoms | 15 |
| Complexity | 427.38522 |
Chemical Identifiers
| CAS Number | 125629-01-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-] |
Product Overview
Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester (CAS 125629-01-8), with molecular formula C8H7NO6 and molecular weight 213.03 g/mol. IUPAC: methyl 3,4-dihydroxy-5-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester
Property Insights of Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester
The XLogP value of 0.7926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester. The TPSA of 109.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester has 2 hydrogen bond donor(s) and 6 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, 3,4-dihydroxy-5-nitro-, methyl ester?
The CAS number of Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester is 125629-01-8.
What is the molecular formula of Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester?
The molecular formula of Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester is C8H7NO6.
What is the molecular weight of Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester?
The molecular weight of Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester is 213.03 g/mol.
Where can I buy Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester?
You can request a quote for Benzoic acid, 3,4-dihydroxy-5-nitro-, 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, 3,4-dihydroxy-5-nitro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.