o,o-Bis(2-chloroethyl) phenylphosphonothioate
TL;DR: o,o-Bis(2-chloroethyl) phenylphosphonothioate (CAS 6344-04-3) is a chemical compound with molecular formula C10H13Cl2O2PS and molecular weight 297.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethoxy)-phenyl-sulfanylidene-λ5-phosphane
Also Known As: o,o-bis(2-chloroethyl) phenylphosphonothioate, bis(2-chloroethoxy)-phenyl-sulfanylidene-
| Molecular Formula | C10H13Cl2O2PS |
|---|---|
| Molecular Weight | 297.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 297.9751 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 6344-04-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=S)(OCCCl)OCCCl |
| InChIKey | JPQWCKDCMMVBGU-UHFFFAOYSA-N |
Product Overview
o,o-Bis(2-chloroethyl) phenylphosphonothioate (CAS 6344-04-3), with molecular formula C10H13Cl2O2PS and molecular weight 297.98 g/mol. IUPAC: bis(2-chloroethoxy)-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of o,o-Bis(2-chloroethyl) phenylphosphonothioate
Property Insights of o,o-Bis(2-chloroethyl) phenylphosphonothioate
The XLogP value of 3.9 indicates that o,o-Bis(2-chloroethyl) phenylphosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, o,o-Bis(2-chloroethyl) phenylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o,o-Bis(2-chloroethyl) phenylphosphonothioate 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 o,o-Bis(2-chloroethyl) phenylphosphonothioate?
The CAS number of o,o-Bis(2-chloroethyl) phenylphosphonothioate is 6344-04-3.
What is the molecular formula of o,o-Bis(2-chloroethyl) phenylphosphonothioate?
The molecular formula of o,o-Bis(2-chloroethyl) phenylphosphonothioate is C10H13Cl2O2PS.
What is the molecular weight of o,o-Bis(2-chloroethyl) phenylphosphonothioate?
The molecular weight of o,o-Bis(2-chloroethyl) phenylphosphonothioate is 297.98 g/mol.
Where can I buy o,o-Bis(2-chloroethyl) phenylphosphonothioate?
You can request a quote for o,o-Bis(2-chloroethyl) phenylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o,o-Bis(2-chloroethyl) phenylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for o,o-Bis(2-chloroethyl) phenylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.