3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid
TL;DR: 3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid (CAS 34545-18-1) is a chemical compound with molecular formula C10H9BrN2O5 and molecular weight 315.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-5-bromo-4-methyl-2-nitrobenzoic acid
Also Known As: BIM-0020157.P001, 3-(acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid, 3-acetamido-5-bromo-4-methyl-2-nitrobenzoic acid, 5-BROMO-2-NITRO-3-ACETYL-AMINO-4-METHYLBENZOICACID, 5-BROMO-2-NITRO-3-ACETYL-AMINO-4-METHYLBENZOIC ACID
| Molecular Formula | C10H9BrN2O5 |
|---|---|
| Molecular Weight | 315.97 g/mol |
| LogP | 2.32232 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.96948 |
| Heavy Atoms | 18 |
| Complexity | 555.6893 |
Chemical Identifiers
| CAS Number | 34545-18-1 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1NC(=O)C)[N+](=O)[O-])C(=O)O)Br |
Product Overview
3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid (CAS 34545-18-1), with molecular formula C10H9BrN2O5 and molecular weight 315.97 g/mol. IUPAC: 3-acetamido-5-bromo-4-methyl-2-nitrobenzoic acid.
Chemical Property Profile of 3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid
Property Insights of 3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid
The XLogP value of 2.32232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic 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-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid?
The CAS number of 3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid is 34545-18-1.
What is the molecular formula of 3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid?
The molecular formula of 3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid is C10H9BrN2O5.
What is the molecular weight of 3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid?
The molecular weight of 3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid is 315.97 g/mol.
Where can I buy 3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid?
You can request a quote for 3-(Acetylamino)-5-bromo-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-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.