4-氯-3-氧代-N-苯基丁酰胺
TL;DR: 4-氯-3-氧代-N-苯基丁酰胺 (CAS 39082-00-3) is a chemical compound with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-3-氧代-N-苯基丁酰胺
4-chloro-3-oxo-N-phenylbutanamide
Also Known As: 4-Chloroacetoacetanilide, gamma-Chloroacetoacetanilide, 4-Chloro-3-oxo-N-phenylbutanamide, Butanamide, 4-chloro-3-oxo-N-phenyl-, ACETOACETANILIDE, 4-CHLORO-
| Molecular Formula | C10H10ClNO2 |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.04001 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 39082-00-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CC(=O)CCl |
| InChIKey | CJLSDBRIXZFCKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-3-氧代-N-苯基丁酰胺 (CAS 39082-00-3), with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol. IUPAC: 4-chloro-3-oxo-N-phenylbutanamide.
Chemical Property Profile of 4-氯-3-氧代-N-苯基丁酰胺
Property Insights of 4-氯-3-氧代-N-苯基丁酰胺
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-3-氧代-N-苯基丁酰胺. With a topological polar surface area (TPSA) of 46.2 Ų, 4-氯-3-氧代-N-苯基丁酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-3-氧代-N-苯基丁酰胺 has 1 hydrogen bond donor(s) and 2 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-氯-3-氧代-N-苯基丁酰胺?
The CAS number of 4-氯-3-氧代-N-苯基丁酰胺 is 39082-00-3.
What is the molecular formula of 4-氯-3-氧代-N-苯基丁酰胺?
The molecular formula of 4-氯-3-氧代-N-苯基丁酰胺 is C10H10ClNO2.
What is the molecular weight of 4-氯-3-氧代-N-苯基丁酰胺?
The molecular weight of 4-氯-3-氧代-N-苯基丁酰胺 is 211.04 g/mol.
Where can I buy 4-氯-3-氧代-N-苯基丁酰胺?
You can request a quote for 4-氯-3-氧代-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 4-氯-3-氧代-N-苯基丁酰胺?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-3-氧代-N-苯基丁酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.