3-Methoxy-5-nitrobenzoic acid
TL;DR: 3-Methoxy-5-nitrobenzoic acid (CAS 78238-12-7) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-5-nitrobenzoic acid
Also Known As: 3-methoxy-5-nitrobenzoic acid, 5-Nitro-m-anisic acid, 3-methoxy-5-nitro-benzoic acid, Benzoic acid, 3-methoxy-5-nitro-, 3-METHOXY-5-NITROBENZOICACID
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.3016 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 355.06808 |
Chemical Identifiers
| CAS Number | 78238-12-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O |
Product Overview
3-Methoxy-5-nitrobenzoic acid (CAS 78238-12-7), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: 3-methoxy-5-nitrobenzoic acid.
Chemical Property Profile of 3-Methoxy-5-nitrobenzoic acid
Property Insights of 3-Methoxy-5-nitrobenzoic acid
The XLogP value of 1.3016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-5-nitrobenzoic acid. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-Methoxy-5-nitrobenzoic acid has 1 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-Methoxy-5-nitrobenzoic acid?
The CAS number of 3-Methoxy-5-nitrobenzoic acid is 78238-12-7.
What is the molecular formula of 3-Methoxy-5-nitrobenzoic acid?
The molecular formula of 3-Methoxy-5-nitrobenzoic acid is C8H7NO5.
What is the molecular weight of 3-Methoxy-5-nitrobenzoic acid?
The molecular weight of 3-Methoxy-5-nitrobenzoic acid is 197.03 g/mol.
Where can I buy 3-Methoxy-5-nitrobenzoic acid?
You can request a quote for 3-Methoxy-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.