4-(Chloromethyl)benzamide
TL;DR: 4-(Chloromethyl)benzamide (CAS 84545-14-2) 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.
4-(chloromethyl)benzamide
Also Known As: 4-(Chloromethyl)benzamide, Benzamide,4- -, 4-chloromethyl-benzamide, Letrozole Impurity N2, Letrozole Impurity 41
| 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 | 141.0 |
Chemical Identifiers
| CAS Number | 84545-14-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CCl)C(=O)N |
| InChIKey | OVILZFVTUVWJTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Chloromethyl)benzamide (CAS 84545-14-2), with molecular formula C8H8ClNO and molecular weight 169.03 g/mol. IUPAC: 4-(chloromethyl)benzamide.
Chemical Property Profile of 4-(Chloromethyl)benzamide
Property Insights of 4-(Chloromethyl)benzamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)benzamide. With a topological polar surface area (TPSA) of 43.1 Ų, 4-(Chloromethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(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 4-(Chloromethyl)benzamide?
The CAS number of 4-(Chloromethyl)benzamide is 84545-14-2.
What is the molecular formula of 4-(Chloromethyl)benzamide?
The molecular formula of 4-(Chloromethyl)benzamide is C8H8ClNO.
What is the molecular weight of 4-(Chloromethyl)benzamide?
The molecular weight of 4-(Chloromethyl)benzamide is 169.03 g/mol.
Where can I buy 4-(Chloromethyl)benzamide?
You can request a quote for 4-(Chloromethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.