N-(3-氯-邻甲苯基)-3-氧代丁酰胺
TL;DR: N-(3-氯-邻甲苯基)-3-氧代丁酰胺 (CAS 958779-95-8) is a chemical compound with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-氯-邻甲苯基)-3-氧代丁酰胺
N-(4-chloro-3-methylphenyl)-3-oxobutanamide
Also Known As: n-(4-chloro-3-methylphenyl)-3-oxobutanamide, N-(3-Chloro-o-tolyl)-3-oxobutyramide, 4 -Chloro-3 -methylacetoacetanilide, 243-539-9, EINECS 243-539-9
| Molecular Formula | C11H12ClNO2 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.05565 |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 958779-95-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CC(=O)C)Cl |
| InChIKey | MBHHQLOFXADMQF-UHFFFAOYSA-N |
Product Overview
N-(3-氯-邻甲苯基)-3-氧代丁酰胺 (CAS 958779-95-8), with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol. IUPAC: N-(4-chloro-3-methylphenyl)-3-oxobutanamide.
Chemical Property Profile of N-(3-氯-邻甲苯基)-3-氧代丁酰胺
Property Insights of N-(3-氯-邻甲苯基)-3-氧代丁酰胺
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-氯-邻甲苯基)-3-氧代丁酰胺. With a topological polar surface area (TPSA) of 46.2 Ų, N-(3-氯-邻甲苯基)-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-邻甲苯基)-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-邻甲苯基)-3-氧代丁酰胺?
The CAS number of N-(3-氯-邻甲苯基)-3-氧代丁酰胺 is 958779-95-8.
What is the molecular formula of N-(3-氯-邻甲苯基)-3-氧代丁酰胺?
The molecular formula of N-(3-氯-邻甲苯基)-3-氧代丁酰胺 is C11H12ClNO2.
What is the molecular weight of N-(3-氯-邻甲苯基)-3-氧代丁酰胺?
The molecular weight of N-(3-氯-邻甲苯基)-3-氧代丁酰胺 is 225.06 g/mol.
Where can I buy N-(3-氯-邻甲苯基)-3-氧代丁酰胺?
You can request a quote for N-(3-氯-邻甲苯基)-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-邻甲苯基)-3-氧代丁酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(3-氯-邻甲苯基)-3-氧代丁酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.