4-氯乙酰乙酸乙酯
TL;DR: 4-氯乙酰乙酸乙酯 (CAS 638-07-3) is a chemical compound with molecular formula C6H9ClO3 and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯乙酰乙酸乙酯
ethyl 4-chloro-3-oxobutanoate
Also Known As: Ethyl 4-chloroacetoacetate, Ethyl 4-chloro-3-oxobutanoate, 4-Chloroacetoacetic acid ethyl ester, ECA cpd, COBE cpd
| Molecular Formula | C6H9ClO3 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.02402 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 638-07-3 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CCl |
| InChIKey | OHLRLMWUFVDREV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯乙酰乙酸乙酯 (CAS 638-07-3), with molecular formula C6H9ClO3 and molecular weight 164.02 g/mol. IUPAC: ethyl 4-chloro-3-oxobutanoate.
Chemical Property Profile of 4-氯乙酰乙酸乙酯
Property Insights of 4-氯乙酰乙酸乙酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯乙酰乙酸乙酯. With a topological polar surface area (TPSA) of 43.4 Ų, 4-氯乙酰乙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯乙酰乙酸乙酯 has 0 hydrogen bond donor(s) and 3 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-氯乙酰乙酸乙酯?
The CAS number of 4-氯乙酰乙酸乙酯 is 638-07-3.
What is the molecular formula of 4-氯乙酰乙酸乙酯?
The molecular formula of 4-氯乙酰乙酸乙酯 is C6H9ClO3.
What is the molecular weight of 4-氯乙酰乙酸乙酯?
The molecular weight of 4-氯乙酰乙酸乙酯 is 164.02 g/mol.
Where can I buy 4-氯乙酰乙酸乙酯?
You can request a quote for 4-氯乙酰乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯乙酰乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 4-氯乙酰乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.