2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid
TL;DR: 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid (CAS 54002-35-6) is a chemical compound with molecular formula C10H11N3O5 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-5-amino-4-methyl-2-nitrobenzoic acid
Also Known As: 2-NITRO-5-AMINO-3-(ACETYL-AMINO)-4-METHYLBENZOIC ACID, 3-acetamido-5-amino-4-methyl-2-nitrobenzoic acid, 3-(acetylamino)-5-amino-4-methyl-2-nitrobenzoic acid, 3-Acetamido-5-amino-4-methyl-2-nitrobenzoesaeure, 3-acetamido-5-amino-4-methyl-2-nitro-benzoic Acid
| Molecular Formula | C10H11N3O5 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 1.14202 |
| Topological Polar Surface Area | 135.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.06987 |
| Heavy Atoms | 18 |
| Complexity | 552.9344 |
Chemical Identifiers
| CAS Number | 54002-35-6 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1NC(=O)C)[N+](=O)[O-])C(=O)O)N |
Product Overview
2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid (CAS 54002-35-6), with molecular formula C10H11N3O5 and molecular weight 253.07 g/mol. IUPAC: 3-acetamido-5-amino-4-methyl-2-nitrobenzoic acid.
Chemical Property Profile of 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid
Property Insights of 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid
The XLogP value of 1.14202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid. The TPSA of 135.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic 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 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid?
The CAS number of 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid is 54002-35-6.
What is the molecular formula of 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid?
The molecular formula of 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid is C10H11N3O5.
What is the molecular weight of 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid?
The molecular weight of 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid is 253.07 g/mol.
Where can I buy 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid?
You can request a quote for 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-5-amino-3-(acetyl-amino)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.