4-(Chloromethyl)-N,N-diethylbenzamide
TL;DR: 4-(Chloromethyl)-N,N-diethylbenzamide (CAS 54589-57-0) is a chemical compound with molecular formula C12H16ClNO and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-N,N-diethylbenzamide
Also Known As: 4-(chloromethyl)-N,N-diethylbenzamide, alpha-Chloro-N,N-diethyl-p-toluamide, Benzamide, 4-(chloromethyl)-N,N-diethyl-, 4-Chloromethyl-N,N-diethylbenzamide, p-Toluamide, alpha-chloro-N,N-diethyl-
| Molecular Formula | C12H16ClNO |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 2.9074 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.09204 |
| Heavy Atoms | 15 |
| Complexity | 316.89893 |
Chemical Identifiers
| CAS Number | 54589-57-0 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC=C(C=C1)CCl |
Product Overview
4-(Chloromethyl)-N,N-diethylbenzamide (CAS 54589-57-0), with molecular formula C12H16ClNO and molecular weight 225.09 g/mol. IUPAC: 4-(chloromethyl)-N,N-diethylbenzamide.
Chemical Property Profile of 4-(Chloromethyl)-N,N-diethylbenzamide
Property Insights of 4-(Chloromethyl)-N,N-diethylbenzamide
The XLogP value of 2.9074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)-N,N-diethylbenzamide. With a topological polar surface area (TPSA) of 20.31 Ų, 4-(Chloromethyl)-N,N-diethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)-N,N-diethylbenzamide 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 4-(Chloromethyl)-N,N-diethylbenzamide?
The CAS number of 4-(Chloromethyl)-N,N-diethylbenzamide is 54589-57-0.
What is the molecular formula of 4-(Chloromethyl)-N,N-diethylbenzamide?
The molecular formula of 4-(Chloromethyl)-N,N-diethylbenzamide is C12H16ClNO.
What is the molecular weight of 4-(Chloromethyl)-N,N-diethylbenzamide?
The molecular weight of 4-(Chloromethyl)-N,N-diethylbenzamide is 225.09 g/mol.
Where can I buy 4-(Chloromethyl)-N,N-diethylbenzamide?
You can request a quote for 4-(Chloromethyl)-N,N-diethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)-N,N-diethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-N,N-diethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.