N-(butan-2-yl)-2-chloro-4-methylbenzamide
TL;DR: N-(butan-2-yl)-2-chloro-4-methylbenzamide (CAS 430457-22-0) 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.
N-butan-2-yl-2-chloro-4-methylbenzamide
Also Known As: N-(butan-2-yl)-2-chloro-4-methylbenzamide, N-butan-2-yl-2-chloro-4-methylbenzamide, 2-Chloro-4-methyl-N-(1-methylpropyl)benzamide, AB00112883-01
| Molecular Formula | C12H16ClNO |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 3.17672 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.09204 |
| Heavy Atoms | 15 |
| Complexity | 362.6398 |
Chemical Identifiers
| CAS Number | 430457-22-0 |
|---|---|
| SMILES | CCC(C)NC(=O)C1=C(C=C(C=C1)C)Cl |
Product Overview
N-(butan-2-yl)-2-chloro-4-methylbenzamide (CAS 430457-22-0), with molecular formula C12H16ClNO and molecular weight 225.09 g/mol. IUPAC: N-butan-2-yl-2-chloro-4-methylbenzamide.
Chemical Property Profile of N-(butan-2-yl)-2-chloro-4-methylbenzamide
Property Insights of N-(butan-2-yl)-2-chloro-4-methylbenzamide
The XLogP value of 3.17672 indicates that N-(butan-2-yl)-2-chloro-4-methylbenzamide 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-(butan-2-yl)-2-chloro-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(butan-2-yl)-2-chloro-4-methylbenzamide 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-(butan-2-yl)-2-chloro-4-methylbenzamide?
The CAS number of N-(butan-2-yl)-2-chloro-4-methylbenzamide is 430457-22-0.
What is the molecular formula of N-(butan-2-yl)-2-chloro-4-methylbenzamide?
The molecular formula of N-(butan-2-yl)-2-chloro-4-methylbenzamide is C12H16ClNO.
What is the molecular weight of N-(butan-2-yl)-2-chloro-4-methylbenzamide?
The molecular weight of N-(butan-2-yl)-2-chloro-4-methylbenzamide is 225.09 g/mol.
Where can I buy N-(butan-2-yl)-2-chloro-4-methylbenzamide?
You can request a quote for N-(butan-2-yl)-2-chloro-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(butan-2-yl)-2-chloro-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(butan-2-yl)-2-chloro-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.