2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide
TL;DR: 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide (CAS 331846-25-4) is a chemical compound with molecular formula C13H13ClN2O3 and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide
Also Known As: 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide, N,N-Diallyl-2-chloro-4-nitro-benzamide, N,N-diallyl-2-chloro-4-nitrobenzamide, BAS 00624216, 2-chloro-4-nitro-N,N-bis(prop-2-en-1-yl)benzamide
| Molecular Formula | C13H13ClN2O3 |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.06146 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 331846-25-4 |
|---|---|
| SMILES | C=CCN(CC=C)C(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | KFWMKKFKPQDQHC-UHFFFAOYSA-N |
Product Overview
2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide (CAS 331846-25-4), with molecular formula C13H13ClN2O3 and molecular weight 280.06 g/mol. IUPAC: 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide.
Chemical Property Profile of 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide
Property Insights of 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide
The XLogP value of 3.3 indicates that 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide. Following Lipinski's Rule of Five, 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide has 0 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 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide?
The CAS number of 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide is 331846-25-4.
What is the molecular formula of 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide?
The molecular formula of 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide is C13H13ClN2O3.
What is the molecular weight of 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide?
The molecular weight of 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide is 280.06 g/mol.
Where can I buy 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide?
You can request a quote for 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.