氯磷酸二乙酯
TL;DR: 氯磷酸二乙酯 (CAS 814-49-3) is a chemical compound with molecular formula C4H10ClO3P and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯磷酸二乙酯
1-[chloro(ethoxy)phosphoryl]oxyethane
Also Known As: DIETHYL CHLOROPHOSPHATE, Diethyl phosphorochloridate, Diethyl chlorophosphonate, Diethylchlorfosfat, Diethoxyphosphoryl chloride
| Molecular Formula | C4H10ClO3P |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.00562 |
| Heavy Atoms | 9 |
| Complexity | 106.0 |
| Boiling Point | 60.0 °C at 2 mmHg |
| Density | 1.1915 at 25.0 °C |
| Solubility | Sol in alcohols |
| Refractive Index | 1.4153 @ 25 °C |
Chemical Identifiers
| CAS Number | 814-49-3 |
|---|---|
| SMILES | CCOP(=O)(OCC)Cl |
| InChIKey | LGTLXDJOAJDFLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯磷酸二乙酯 (CAS 814-49-3), with molecular formula C4H10ClO3P and molecular weight 172.01 g/mol. IUPAC: 1-[chloro(ethoxy)phosphoryl]oxyethane.
Chemical Property Profile of 氯磷酸二乙酯
Property Insights of 氯磷酸二乙酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯磷酸二乙酯. With a topological polar surface area (TPSA) of 35.5 Ų, 氯磷酸二乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯磷酸二乙酯 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 氯磷酸二乙酯?
The CAS number of 氯磷酸二乙酯 is 814-49-3.
What is the molecular formula of 氯磷酸二乙酯?
The molecular formula of 氯磷酸二乙酯 is C4H10ClO3P.
What is the molecular weight of 氯磷酸二乙酯?
The molecular weight of 氯磷酸二乙酯 is 172.01 g/mol.
Where can I buy 氯磷酸二乙酯?
You can request a quote for 氯磷酸二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯磷酸二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 氯磷酸二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.