氯甲酸-1-氯乙酯
TL;DR: 氯甲酸-1-氯乙酯 (CAS 50893-53-3) is a chemical compound with molecular formula C3H4Cl2O2 and molecular weight 141.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯甲酸-1-氯乙酯
1-chloroethyl carbonochloridate
Also Known As: 1-Chloroethyl chloroformate, 1-chloroethyl carbonochloridate, ACE-Cl, Chloroformic Acid 1-Chloroethyl Ester, alpha-Chloroethyl chloroformate
| Molecular Formula | C3H4Cl2O2 |
|---|---|
| Molecular Weight | 141.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.95883 |
| Heavy Atoms | 7 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 50893-53-3 |
|---|---|
| SMILES | CC(OC(=O)Cl)Cl |
| InChIKey | QOPVNWQGBQYBBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯甲酸-1-氯乙酯 (CAS 50893-53-3), with molecular formula C3H4Cl2O2 and molecular weight 141.96 g/mol. IUPAC: 1-chloroethyl carbonochloridate.
Chemical Property Profile of 氯甲酸-1-氯乙酯
Property Insights of 氯甲酸-1-氯乙酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯甲酸-1-氯乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 氯甲酸-1-氯乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯甲酸-1-氯乙酯 has 0 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 氯甲酸-1-氯乙酯?
The CAS number of 氯甲酸-1-氯乙酯 is 50893-53-3.
What is the molecular formula of 氯甲酸-1-氯乙酯?
The molecular formula of 氯甲酸-1-氯乙酯 is C3H4Cl2O2.
What is the molecular weight of 氯甲酸-1-氯乙酯?
The molecular weight of 氯甲酸-1-氯乙酯 is 141.96 g/mol.
Where can I buy 氯甲酸-1-氯乙酯?
You can request a quote for 氯甲酸-1-氯乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯甲酸-1-氯乙酯?
Yes, KEHONG BIO provides custom synthesis services for 氯甲酸-1-氯乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.