N-(2,5-二氯苯基)-3-氧代丁酰胺
TL;DR: N-(2,5-二氯苯基)-3-氧代丁酰胺 (CAS 2044-72-6) is a chemical compound with molecular formula C10H9Cl2NO2 and molecular weight 245.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-二氯苯基)-3-氧代丁酰胺
N-(2,5-dichlorophenyl)-3-oxobutanamide
Also Known As: 2',5'-Dichloroacetoacetanilide, N-(2,5-Dichlorophenyl)-3-oxobutanamide, Butanamide, N-(2,5-dichlorophenyl)-3-oxo-, Acetoacetic acid-2,5-dichloroanilide, Acetoacetanilide, 2',5'-dichloro-
| Molecular Formula | C10H9Cl2NO2 |
|---|---|
| Molecular Weight | 245.00 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 | 245.00104 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 2044-72-6 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)Cl |
| InChIKey | HLMZZYYGOKOOTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2,5-二氯苯基)-3-氧代丁酰胺 (CAS 2044-72-6), with molecular formula C10H9Cl2NO2 and molecular weight 245.00 g/mol. IUPAC: N-(2,5-dichlorophenyl)-3-oxobutanamide.
Chemical Property Profile of N-(2,5-二氯苯基)-3-氧代丁酰胺
Property Insights of N-(2,5-二氯苯基)-3-氧代丁酰胺
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,5-二氯苯基)-3-氧代丁酰胺. With a topological polar surface area (TPSA) of 46.2 Ų, N-(2,5-二氯苯基)-3-氧代丁酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,5-二氯苯基)-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-(2,5-二氯苯基)-3-氧代丁酰胺?
The CAS number of N-(2,5-二氯苯基)-3-氧代丁酰胺 is 2044-72-6.
What is the molecular formula of N-(2,5-二氯苯基)-3-氧代丁酰胺?
The molecular formula of N-(2,5-二氯苯基)-3-氧代丁酰胺 is C10H9Cl2NO2.
What is the molecular weight of N-(2,5-二氯苯基)-3-氧代丁酰胺?
The molecular weight of N-(2,5-二氯苯基)-3-氧代丁酰胺 is 245.00 g/mol.
Where can I buy N-(2,5-二氯苯基)-3-氧代丁酰胺?
You can request a quote for N-(2,5-二氯苯基)-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-(2,5-二氯苯基)-3-氧代丁酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(2,5-二氯苯基)-3-氧代丁酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.