![Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate structure](/static/products/3299/329932-36-7.webp)
Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate
TL;DR: Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate (CAS 329932-36-7) is a chemical compound with molecular formula C16H13BrN2O5 and molecular weight 392.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-bromo-2-methylphenyl)carbamoyl]-5-nitrobenzoate
Also Known As: methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate, methyl 3-[(4-bromo-2-methylphenyl)carbamoyl]-5-nitrobenzoate, methyl 3-((4-bromo-2-methylphenyl)carbamoyl)-5-nitrobenzoate, methyl 5-[N-(4-bromo-2-methylphenyl)carbamoyl]-3-nitrobenzoate
| Molecular Formula | C16H13BrN2O5 |
|---|---|
| Molecular Weight | 392.00 g/mol |
| LogP | 3.70462 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.0008 |
| Heavy Atoms | 24 |
| Complexity | 835.21265 |
Chemical Identifiers
| CAS Number | 329932-36-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate (CAS 329932-36-7), with molecular formula C16H13BrN2O5 and molecular weight 392.00 g/mol. IUPAC: methyl 3-[(4-bromo-2-methylphenyl)carbamoyl]-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate
Property Insights of Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate
The XLogP value of 3.70462 indicates that Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate has 1 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 Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate?
The CAS number of Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate is 329932-36-7.
What is the molecular formula of Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate?
The molecular formula of Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate is C16H13BrN2O5.
What is the molecular weight of Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate?
The molecular weight of Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate is 392.00 g/mol.
Where can I buy Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate?
You can request a quote for Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(4-bromo-2-methylanilino)carbonyl]-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.