4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide
TL;DR: 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide (CAS 339586-53-7) is a chemical compound with molecular formula C13H10ClN3O3 and molecular weight 291.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide
Also Known As: 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide, 4-chloro-3-nitro-N-(3-pyridinylmethyl)benzamide, 4-CHLORO-3-NITRO-N-(3-PYRIDYLMETHYL)BENZAMIDE, 4-chloro-3-nitro-N-[(pyridin-3-yl)methyl]benzamide, (4-chloro-3-nitrophenyl)-N-(3-pyridylmethyl)carboxamide
| Molecular Formula | C13H10ClN3O3 |
|---|---|
| Molecular Weight | 291.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 87.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.04108 |
| Heavy Atoms | 20 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 339586-53-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | YRRUTRFTIGRSSF-UHFFFAOYSA-N |
Product Overview
4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide (CAS 339586-53-7), with molecular formula C13H10ClN3O3 and molecular weight 291.04 g/mol. IUPAC: 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide.
Chemical Property Profile of 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide
Property Insights of 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide. Following Lipinski's Rule of Five, 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide has 1 hydrogen bond donor(s) and 4 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 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The CAS number of 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide is 339586-53-7.
What is the molecular formula of 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The molecular formula of 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide is C13H10ClN3O3.
What is the molecular weight of 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The molecular weight of 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide is 291.04 g/mol.
Where can I buy 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
You can request a quote for 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-3-nitro-N-(pyridin-3-ylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.