4-氯-4-氧代丁酸甲酯
TL;DR: 4-氯-4-氧代丁酸甲酯 (CAS 1490-25-1) is a chemical compound with molecular formula C5H7ClO3 and molecular weight 150.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-4-氧代丁酸甲酯
methyl 4-chloro-4-oxobutanoate
Also Known As: methyl 4-chloro-4-oxobutanoate, Methyl succinyl chloride, Methyl 4-chloro-4-oxobutyrate, Methyl 3-(chloroformyl)propionate, 3-(Carbomethoxy)propionyl chloride
| Molecular Formula | C5H7ClO3 |
|---|---|
| Molecular Weight | 150.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.00838 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 1490-25-1 |
|---|---|
| SMILES | COC(=O)CCC(=O)Cl |
| InChIKey | SRXOJMOGPYFZKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-4-氧代丁酸甲酯 (CAS 1490-25-1), with molecular formula C5H7ClO3 and molecular weight 150.01 g/mol. IUPAC: methyl 4-chloro-4-oxobutanoate.
Chemical Property Profile of 4-氯-4-氧代丁酸甲酯
Property Insights of 4-氯-4-氧代丁酸甲酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-4-氧代丁酸甲酯. With a topological polar surface area (TPSA) of 43.4 Ų, 4-氯-4-氧代丁酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-4-氧代丁酸甲酯 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-4-氧代丁酸甲酯?
The CAS number of 4-氯-4-氧代丁酸甲酯 is 1490-25-1.
What is the molecular formula of 4-氯-4-氧代丁酸甲酯?
The molecular formula of 4-氯-4-氧代丁酸甲酯 is C5H7ClO3.
What is the molecular weight of 4-氯-4-氧代丁酸甲酯?
The molecular weight of 4-氯-4-氧代丁酸甲酯 is 150.01 g/mol.
Where can I buy 4-氯-4-氧代丁酸甲酯?
You can request a quote for 4-氯-4-氧代丁酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-4-氧代丁酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-4-氧代丁酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.