![Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate structure](/static/products/3299/329931-77-3.webp)
Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate
TL;DR: Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate (CAS 329931-77-3) is a chemical compound with molecular formula C16H13ClN2O5 and molecular weight 348.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate
Also Known As: methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate, methyl 3-((3-chloro-2-methylphenyl)carbamoyl)-5-nitrobenzoate, methyl 5-[N-(3-chloro-2-methylphenyl)carbamoyl]-3-nitrobenzoate, METHYL 3-((3-CHLORO-2-METHYLANILINO)CARBONYL)-5-NITROBENZOATE, METHYL 3-[(3-CHLORO-2-METHYLANILINO)CARBONYL]-5-NITROBENZOATE
| Molecular Formula | C16H13ClN2O5 |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.0513 |
| Heavy Atoms | 24 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 329931-77-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC |
| InChIKey | NWWGMMIAMJQNSN-UHFFFAOYSA-N |
Product Overview
Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate (CAS 329931-77-3), with molecular formula C16H13ClN2O5 and molecular weight 348.05 g/mol. IUPAC: methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate
Property Insights of Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate
The XLogP value of 3.2 indicates that Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-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-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate?
The CAS number of Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate is 329931-77-3.
What is the molecular formula of Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate?
The molecular formula of Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate is C16H13ClN2O5.
What is the molecular weight of Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate?
The molecular weight of Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate is 348.05 g/mol.
Where can I buy Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate?
You can request a quote for Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-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-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.