3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid
TL;DR: 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid (CAS 54002-30-1) is a chemical compound with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diacetamido-4-methyl-2-nitrobenzoic acid
Also Known As: 3,5-diacetamido-4-methyl-2-nitrobenzoic acid, 3,5-BIS(ACETYLAMINO)-4-METHYL-2-NITRO-BENZOIC ACID, Benzoic acid,3,5-bis(acetylamino)-4-methyl-2-nitro-, 3,5-diacetamido-4-methyl-2-nitro-benzoic Acid, 3,5-BIS -4-METHYL-2-NITRO-BENZOICACID
| Molecular Formula | C12H13N3O6 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 1.51822 |
| Topological Polar Surface Area | 138.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.08044 |
| Heavy Atoms | 21 |
| Complexity | 652.8831 |
Chemical Identifiers
| CAS Number | 54002-30-1 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1NC(=O)C)[N+](=O)[O-])C(=O)O)NC(=O)C |
Product Overview
3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid (CAS 54002-30-1), with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol. IUPAC: 3,5-diacetamido-4-methyl-2-nitrobenzoic acid.
Chemical Property Profile of 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid
Property Insights of 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid
The XLogP value of 1.51822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid. The TPSA of 138.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid. Following Lipinski's Rule of Five, 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid has 3 hydrogen bond donor(s) and 5 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-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid?
The CAS number of 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid is 54002-30-1.
What is the molecular formula of 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid?
The molecular formula of 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid is C12H13N3O6.
What is the molecular weight of 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid?
The molecular weight of 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid is 295.08 g/mol.
Where can I buy 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid?
You can request a quote for 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic 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-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(acetylamino)-4-methyl-2-nitro-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.