双(2-氯乙基)氯代磷酸酯
TL;DR: 双(2-氯乙基)氯代磷酸酯 (CAS 6087-94-1) is a chemical compound with molecular formula C4H8Cl3O3P and molecular weight 239.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(2-氯乙基)氯代磷酸酯
1-chloro-2-[chloro(2-chloroethoxy)phosphoryl]oxyethane
Also Known As: Bis(2-chloroethyl) chlorophosphate, bis(2-chloroethyl) phosphorochloridate, 2-Chloro-ethanol Phosphorochloridate, 1-chloro-2-[chloro(2-chloroethoxy)phosphoryl]oxyethane, Chlorophosphonic acid bis(2-chloroethyl) ester
| Molecular Formula | C4H8Cl3O3P |
|---|---|
| Molecular Weight | 239.93 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.92766 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 6087-94-1 |
|---|---|
| SMILES | C(CCl)OP(=O)(OCCCl)Cl |
| InChIKey | XETKNKZXWYEULP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(2-氯乙基)氯代磷酸酯 (CAS 6087-94-1), with molecular formula C4H8Cl3O3P and molecular weight 239.93 g/mol. IUPAC: 1-chloro-2-[chloro(2-chloroethoxy)phosphoryl]oxyethane.
Chemical Property Profile of 双(2-氯乙基)氯代磷酸酯
Property Insights of 双(2-氯乙基)氯代磷酸酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双(2-氯乙基)氯代磷酸酯. With a topological polar surface area (TPSA) of 35.5 Ų, 双(2-氯乙基)氯代磷酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双(2-氯乙基)氯代磷酸酯 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 双(2-氯乙基)氯代磷酸酯?
The CAS number of 双(2-氯乙基)氯代磷酸酯 is 6087-94-1.
What is the molecular formula of 双(2-氯乙基)氯代磷酸酯?
The molecular formula of 双(2-氯乙基)氯代磷酸酯 is C4H8Cl3O3P.
What is the molecular weight of 双(2-氯乙基)氯代磷酸酯?
The molecular weight of 双(2-氯乙基)氯代磷酸酯 is 239.93 g/mol.
Where can I buy 双(2-氯乙基)氯代磷酸酯?
You can request a quote for 双(2-氯乙基)氯代磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(2-氯乙基)氯代磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 双(2-氯乙基)氯代磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.