N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride
TL;DR: N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride (CAS 94408-76-1) is a chemical compound with molecular formula C10H13Cl3NPS and molecular weight 314.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-[chloro(phenyl)phosphinothioyl]ethanamine
Also Known As: N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride, 2-chloro-N-(2-chloroethyl)-N-[chloro(phenyl)phosphinothioyl], 2-chloro-N-(2-chloroethyl)-N-[chloro(phenyl)phosphinothioyl]ethanamine, Phosphonamidothioicchloride, N,N-bis(2-chloroethyl)-P-phenyl- (7CI)
| Molecular Formula | C10H13Cl3NPS |
|---|---|
| Molecular Weight | 314.96 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.95718 |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 94408-76-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=S)(N(CCCl)CCCl)Cl |
| InChIKey | KTOTZBCMGRGKPC-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride (CAS 94408-76-1), with molecular formula C10H13Cl3NPS and molecular weight 314.96 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[chloro(phenyl)phosphinothioyl]ethanamine.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride
Property Insights of N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride
The XLogP value of 4.9 indicates that N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride 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 N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride?
The CAS number of N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride is 94408-76-1.
What is the molecular formula of N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride?
The molecular formula of N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride is C10H13Cl3NPS.
What is the molecular weight of N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride?
The molecular weight of N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride is 314.96 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride?
You can request a quote for N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-P-phenylphosphonamidothioic chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.