2-氯-N-甲基-3-氧代丁酰胺
TL;DR: 2-氯-N-甲基-3-氧代丁酰胺 (CAS 4116-10-3) is a chemical compound with molecular formula C5H8ClNO2 and molecular weight 149.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-N-甲基-3-氧代丁酰胺
2-chloro-N-methyl-3-oxobutanamide
Also Known As: 2-CHLORO-N-METHYL-3-OXOBUTANAMIDE, 2-Chloro-N-methylacetoacetamide, N-Methyl-2-chloroacetoacetamide, 2-Chloro-N-methyl-3-oxobutyramide, Acetoacetamide, 2-chloro-N-ethyl-
| Molecular Formula | C5H8ClNO2 |
|---|---|
| Molecular Weight | 149.02 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.02435 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 4116-10-3 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC)Cl |
| InChIKey | XIWMZCRVSYHMER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-N-甲基-3-氧代丁酰胺 (CAS 4116-10-3), with molecular formula C5H8ClNO2 and molecular weight 149.02 g/mol. IUPAC: 2-chloro-N-methyl-3-oxobutanamide.
Chemical Property Profile of 2-氯-N-甲基-3-氧代丁酰胺
Property Insights of 2-氯-N-甲基-3-氧代丁酰胺
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-N-甲基-3-氧代丁酰胺. With a topological polar surface area (TPSA) of 46.2 Ų, 2-氯-N-甲基-3-氧代丁酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-N-甲基-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 2-氯-N-甲基-3-氧代丁酰胺?
The CAS number of 2-氯-N-甲基-3-氧代丁酰胺 is 4116-10-3.
What is the molecular formula of 2-氯-N-甲基-3-氧代丁酰胺?
The molecular formula of 2-氯-N-甲基-3-氧代丁酰胺 is C5H8ClNO2.
What is the molecular weight of 2-氯-N-甲基-3-氧代丁酰胺?
The molecular weight of 2-氯-N-甲基-3-氧代丁酰胺 is 149.02 g/mol.
Where can I buy 2-氯-N-甲基-3-氧代丁酰胺?
You can request a quote for 2-氯-N-甲基-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 2-氯-N-甲基-3-氧代丁酰胺?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-N-甲基-3-氧代丁酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.