N,N-diallyl-3-chlorobenzamide
TL;DR: N,N-diallyl-3-chlorobenzamide (CAS 5867-00-5) is a chemical compound with molecular formula C13H14ClNO and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N,N-bis(prop-2-enyl)benzamide
Also Known As: N,N-diallyl-3-chlorobenzamide, 3-chloro-N,N-bis(prop-2-enyl)benzamide, 3-chloro-N,N-diprop-2-enyl-benzamide, AO-854/11635709
| Molecular Formula | C13H14ClNO |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 3.1542 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.07639 |
| Heavy Atoms | 16 |
| Complexity | 390.674 |
Chemical Identifiers
| CAS Number | 5867-00-5 |
|---|---|
| SMILES | C=CCN(CC=C)C(=O)C1=CC(=CC=C1)Cl |
Product Overview
N,N-diallyl-3-chlorobenzamide (CAS 5867-00-5), with molecular formula C13H14ClNO and molecular weight 235.08 g/mol. IUPAC: 3-chloro-N,N-bis(prop-2-enyl)benzamide.
Chemical Property Profile of N,N-diallyl-3-chlorobenzamide
Property Insights of N,N-diallyl-3-chlorobenzamide
The XLogP value of 3.1542 indicates that N,N-diallyl-3-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, N,N-diallyl-3-chlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diallyl-3-chlorobenzamide has 0 hydrogen bond donor(s) and 1 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,N-diallyl-3-chlorobenzamide?
The CAS number of N,N-diallyl-3-chlorobenzamide is 5867-00-5.
What is the molecular formula of N,N-diallyl-3-chlorobenzamide?
The molecular formula of N,N-diallyl-3-chlorobenzamide is C13H14ClNO.
What is the molecular weight of N,N-diallyl-3-chlorobenzamide?
The molecular weight of N,N-diallyl-3-chlorobenzamide is 235.08 g/mol.
Where can I buy N,N-diallyl-3-chlorobenzamide?
You can request a quote for N,N-diallyl-3-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diallyl-3-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diallyl-3-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.