3-Chloromethyl-benzamide
TL;DR: 3-Chloromethyl-benzamide (CAS 135654-16-9) is a chemical compound with molecular formula C8H8ClNO and molecular weight 169.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)benzamide
Also Known As: 3-(chloromethyl)benzamide, 3-Chloromethylbenzamide, 3-chloromethyl-benzamide, 3-(chloromethyl)-benzamide, 3-Carbamoylbenzyl chloride
| Molecular Formula | C8H8ClNO |
|---|---|
| Molecular Weight | 169.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.02943 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 135654-16-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)N)CCl |
| InChIKey | OOYATKQQGVPYQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloromethyl-benzamide (CAS 135654-16-9), with molecular formula C8H8ClNO and molecular weight 169.03 g/mol. IUPAC: 3-(chloromethyl)benzamide.
Chemical Property Profile of 3-Chloromethyl-benzamide
Property Insights of 3-Chloromethyl-benzamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloromethyl-benzamide. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Chloromethyl-benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloromethyl-benzamide has 1 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 3-Chloromethyl-benzamide?
The CAS number of 3-Chloromethyl-benzamide is 135654-16-9.
What is the molecular formula of 3-Chloromethyl-benzamide?
The molecular formula of 3-Chloromethyl-benzamide is C8H8ClNO.
What is the molecular weight of 3-Chloromethyl-benzamide?
The molecular weight of 3-Chloromethyl-benzamide is 169.03 g/mol.
Where can I buy 3-Chloromethyl-benzamide?
You can request a quote for 3-Chloromethyl-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloromethyl-benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloromethyl-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.