N-(4-tert-butylbenzyl)-2-chlorobenzamide
TL;DR: N-(4-tert-butylbenzyl)-2-chlorobenzamide (CAS 330640-60-3) is a chemical compound with molecular formula C18H20ClNO and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-tert-butylphenyl)methyl]-2-chlorobenzamide
Also Known As: BAS 00728231, N-(4-tert-butylbenzyl)-2-chlorobenzamide, N-(4-tert-Butyl-benzyl)-2-chloro-benzamide, N-[(4-tert-butylphenyl)methyl]-2-chlorobenzamide, N-{[4-(tert-butyl)phenyl]methyl}(2-chlorophenyl)carboxamide
| Molecular Formula | C18H20ClNO |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.12335 |
| Heavy Atoms | 21 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 330640-60-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2Cl |
| InChIKey | XVKVUVXGHSLFMC-UHFFFAOYSA-N |
Product Overview
N-(4-tert-butylbenzyl)-2-chlorobenzamide (CAS 330640-60-3), with molecular formula C18H20ClNO and molecular weight 301.12 g/mol. IUPAC: N-[(4-tert-butylphenyl)methyl]-2-chlorobenzamide.
Chemical Property Profile of N-(4-tert-butylbenzyl)-2-chlorobenzamide
Property Insights of N-(4-tert-butylbenzyl)-2-chlorobenzamide
The XLogP value of 4.1 indicates that N-(4-tert-butylbenzyl)-2-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(4-tert-butylbenzyl)-2-chlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-tert-butylbenzyl)-2-chlorobenzamide 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 N-(4-tert-butylbenzyl)-2-chlorobenzamide?
The CAS number of N-(4-tert-butylbenzyl)-2-chlorobenzamide is 330640-60-3.
What is the molecular formula of N-(4-tert-butylbenzyl)-2-chlorobenzamide?
The molecular formula of N-(4-tert-butylbenzyl)-2-chlorobenzamide is C18H20ClNO.
What is the molecular weight of N-(4-tert-butylbenzyl)-2-chlorobenzamide?
The molecular weight of N-(4-tert-butylbenzyl)-2-chlorobenzamide is 301.12 g/mol.
Where can I buy N-(4-tert-butylbenzyl)-2-chlorobenzamide?
You can request a quote for N-(4-tert-butylbenzyl)-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-tert-butylbenzyl)-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-tert-butylbenzyl)-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.