2-氯-N-苯基丁酰胺
TL;DR: 2-氯-N-苯基丁酰胺 (CAS 854428-57-2) is a chemical compound with molecular formula C10H12ClNO and molecular weight 197.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-N-苯基丁酰胺
2-chloro-N-phenylbutanamide
Also Known As: 2-chloro-N-phenylbutanamide, 2-chlorobutyroanilide, N-Phenyl-2-chlorobutyramide, NCIOpen2_001997, J3.187.742C
| Molecular Formula | C10H12ClNO |
|---|---|
| Molecular Weight | 197.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.06075 |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 854428-57-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=CC=C1)Cl |
| InChIKey | OQEBAOZVEXPDGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-N-苯基丁酰胺 (CAS 854428-57-2), with molecular formula C10H12ClNO and molecular weight 197.06 g/mol. IUPAC: 2-chloro-N-phenylbutanamide.
Chemical Property Profile of 2-氯-N-苯基丁酰胺
Property Insights of 2-氯-N-苯基丁酰胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-N-苯基丁酰胺. With a topological polar surface area (TPSA) of 29.1 Ų, 2-氯-N-苯基丁酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-N-苯基丁酰胺 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 2-氯-N-苯基丁酰胺?
The CAS number of 2-氯-N-苯基丁酰胺 is 854428-57-2.
What is the molecular formula of 2-氯-N-苯基丁酰胺?
The molecular formula of 2-氯-N-苯基丁酰胺 is C10H12ClNO.
What is the molecular weight of 2-氯-N-苯基丁酰胺?
The molecular weight of 2-氯-N-苯基丁酰胺 is 197.06 g/mol.
Where can I buy 2-氯-N-苯基丁酰胺?
You can request a quote for 2-氯-N-苯基丁酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-N-苯基丁酰胺?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-N-苯基丁酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.