N-allyl-3-chloro-4-nitrobenzamide
TL;DR: N-allyl-3-chloro-4-nitrobenzamide (CAS 438456-62-3) is a chemical compound with molecular formula C10H9ClN2O3 and molecular weight 240.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-nitro-N-prop-2-enylbenzamide
Also Known As: N-allyl-3-chloro-4-nitrobenzamide, 3-chloro-4-nitro-N-prop-2-enylbenzamide, 3-chloro-4-nitro-N-(prop-2-en-1-yl)benzamide, (3-chloro-4-nitrophenyl)-N-prop-2-enylcarboxamide
| Molecular Formula | C10H9ClN2O3 |
|---|---|
| Molecular Weight | 240.03 g/mol |
| LogP | 2.164 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.03017 |
| Heavy Atoms | 16 |
| Complexity | 445.69034 |
Chemical Identifiers
| CAS Number | 438456-62-3 |
|---|---|
| SMILES | C=CCNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl |
Product Overview
N-allyl-3-chloro-4-nitrobenzamide (CAS 438456-62-3), with molecular formula C10H9ClN2O3 and molecular weight 240.03 g/mol. IUPAC: 3-chloro-4-nitro-N-prop-2-enylbenzamide.
Chemical Property Profile of N-allyl-3-chloro-4-nitrobenzamide
Property Insights of N-allyl-3-chloro-4-nitrobenzamide
The XLogP value of 2.164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-3-chloro-4-nitrobenzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-3-chloro-4-nitrobenzamide. Following Lipinski's Rule of Five, N-allyl-3-chloro-4-nitrobenzamide has 1 hydrogen bond donor(s) and 3 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 N-allyl-3-chloro-4-nitrobenzamide?
The CAS number of N-allyl-3-chloro-4-nitrobenzamide is 438456-62-3.
What is the molecular formula of N-allyl-3-chloro-4-nitrobenzamide?
The molecular formula of N-allyl-3-chloro-4-nitrobenzamide is C10H9ClN2O3.
What is the molecular weight of N-allyl-3-chloro-4-nitrobenzamide?
The molecular weight of N-allyl-3-chloro-4-nitrobenzamide is 240.03 g/mol.
Where can I buy N-allyl-3-chloro-4-nitrobenzamide?
You can request a quote for N-allyl-3-chloro-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-3-chloro-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-3-chloro-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.