N-(3-氯苯基)-3-氧代丁酰胺
TL;DR: N-(3-氯苯基)-3-氧代丁酰胺 (CAS 2415-87-4) 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.
N-(3-氯苯基)-3-氧代丁酰胺
N-(3-chlorophenyl)-3-oxobutanamide
Also Known As: N-(3-Chlorophenyl)-3-oxobutanamide, 3'-Chloroacetoacetanilide, Butanamide, N-(3-chlorophenyl)-3-oxo-, N-(3-Chlorophenyl)-3-oxobutyramide, 2-Acetyl-3'-chloroacetanilide
| Molecular Formula | C10H10ClNO2 |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04001 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 2415-87-4 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | MTPKMGABYQNMMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-氯苯基)-3-氧代丁酰胺 (CAS 2415-87-4), with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol. IUPAC: N-(3-chlorophenyl)-3-oxobutanamide.
Chemical Property Profile of N-(3-氯苯基)-3-氧代丁酰胺
Property Insights of N-(3-氯苯基)-3-氧代丁酰胺
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-氯苯基)-3-氧代丁酰胺. With a topological polar surface area (TPSA) of 46.2 Ų, N-(3-氯苯基)-3-氧代丁酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-氯苯基)-3-氧代丁酰胺 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 N-(3-氯苯基)-3-氧代丁酰胺?
The CAS number of N-(3-氯苯基)-3-氧代丁酰胺 is 2415-87-4.
What is the molecular formula of N-(3-氯苯基)-3-氧代丁酰胺?
The molecular formula of N-(3-氯苯基)-3-氧代丁酰胺 is C10H10ClNO2.
What is the molecular weight of N-(3-氯苯基)-3-氧代丁酰胺?
The molecular weight of N-(3-氯苯基)-3-氧代丁酰胺 is 211.04 g/mol.
Where can I buy N-(3-氯苯基)-3-氧代丁酰胺?
You can request a quote for N-(3-氯苯基)-3-氧代丁酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-氯苯基)-3-氧代丁酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(3-氯苯基)-3-氧代丁酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.