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Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate
TL;DR: Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate (CAS 564465-39-0) 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-[(2-chlorophenyl)methylcarbamoyl]-5-nitrobenzoate
Also Known As: methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate, methyl 3-((2-chlorobenzyl)carbamoyl)-5-nitrobenzoate, methyl 3-[(2-chlorophenyl)methylcarbamoyl]-5-nitrobenzoate, methyl 5-{N-[(2-chlorophenyl)methyl]carbamoyl}-3-nitrobenzoate, METHYL 3-{[(2-CHLOROBENZYL)AMINO]CARBONYL}-5-NITROBENZOATE
| Molecular Formula | C16H13ClN2O5 |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 2.9648 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.0513 |
| Heavy Atoms | 24 |
| Complexity | 806.8048 |
Chemical Identifiers
| CAS Number | 564465-39-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=CC=C2Cl)[N+](=O)[O-] |
Product Overview
Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate (CAS 564465-39-0), with molecular formula C16H13ClN2O5 and molecular weight 348.05 g/mol. IUPAC: methyl 3-[(2-chlorophenyl)methylcarbamoyl]-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate
Property Insights of Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate
The XLogP value of 2.9648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-[(2-chlorobenzyl)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-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate?
The CAS number of Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate is 564465-39-0.
What is the molecular formula of Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate?
The molecular formula of Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate is C16H13ClN2O5.
What is the molecular weight of Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate?
The molecular weight of Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate is 348.05 g/mol.
Where can I buy Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate?
You can request a quote for Methyl 3-[(2-chlorobenzyl)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-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.