3-Acetyloxy-4-methyl-2-nitrobenzoic acid
TL;DR: 3-Acetyloxy-4-methyl-2-nitrobenzoic acid (CAS 342385-12-0) is a chemical compound with molecular formula C10H9NO6 and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyloxy-4-methyl-2-nitrobenzoic acid
Also Known As: 3-acetyloxy-4-methyl-2-nitrobenzoic acid, 3-(acetyloxy)-4-methyl-2-nitrobenzoic acid, 3-acetyloxy-4-methyl-2-nitro-benzoic Acid, 3-(acetyloxy)-2-nitro-4-methylbenzoic acid, AE-848/30726004
| Molecular Formula | C10H9NO6 |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.04298 |
| Heavy Atoms | 17 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 342385-12-0 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])OC(=O)C |
| InChIKey | WGCAFMYAZVDTPJ-UHFFFAOYSA-N |
Product Overview
3-Acetyloxy-4-methyl-2-nitrobenzoic acid (CAS 342385-12-0), with molecular formula C10H9NO6 and molecular weight 239.04 g/mol. IUPAC: 3-acetyloxy-4-methyl-2-nitrobenzoic acid.
Chemical Property Profile of 3-Acetyloxy-4-methyl-2-nitrobenzoic acid
Property Insights of 3-Acetyloxy-4-methyl-2-nitrobenzoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyloxy-4-methyl-2-nitrobenzoic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyloxy-4-methyl-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-Acetyloxy-4-methyl-2-nitrobenzoic acid has 1 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 3-Acetyloxy-4-methyl-2-nitrobenzoic acid?
The CAS number of 3-Acetyloxy-4-methyl-2-nitrobenzoic acid is 342385-12-0.
What is the molecular formula of 3-Acetyloxy-4-methyl-2-nitrobenzoic acid?
The molecular formula of 3-Acetyloxy-4-methyl-2-nitrobenzoic acid is C10H9NO6.
What is the molecular weight of 3-Acetyloxy-4-methyl-2-nitrobenzoic acid?
The molecular weight of 3-Acetyloxy-4-methyl-2-nitrobenzoic acid is 239.04 g/mol.
Where can I buy 3-Acetyloxy-4-methyl-2-nitrobenzoic acid?
You can request a quote for 3-Acetyloxy-4-methyl-2-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-Acetyloxy-4-methyl-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyloxy-4-methyl-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.