s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate
TL;DR: s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate (CAS 76994-60-0) is a chemical compound with molecular formula C12H17Cl3NOPS and molecular weight 358.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-[chloromethyl-(2-methylphenyl)sulfanylphosphoryl]ethanamine
Also Known As: NCIOpen2_007770, s-(2-methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate, 2-chloro-N-(2-chloroethyl)-N-[chloromethyl-(2-methylphenyl)sulfanylphosphoryl]ethanamine
| Molecular Formula | C12H17Cl3NOPS |
|---|---|
| Molecular Weight | 358.98 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.9834 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 76994-60-0 |
|---|---|
| SMILES | CC1=CC=CC=C1SP(=O)(CCl)N(CCCl)CCCl |
| InChIKey | QZESAOIPLHAJOY-UHFFFAOYSA-N |
Product Overview
s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate (CAS 76994-60-0), with molecular formula C12H17Cl3NOPS and molecular weight 358.98 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[chloromethyl-(2-methylphenyl)sulfanylphosphoryl]ethanamine.
Chemical Property Profile of s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate
Property Insights of s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate
The XLogP value of 3.8 indicates that s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate 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 s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate?
The CAS number of s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate is 76994-60-0.
What is the molecular formula of s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate?
The molecular formula of s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate is C12H17Cl3NOPS.
What is the molecular weight of s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate?
The molecular weight of s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate is 358.98 g/mol.
Where can I buy s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate?
You can request a quote for s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate?
Yes, KEHONG BIO provides custom synthesis services for s-(2-Methylphenyl) n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.