NCIOpen2_007730
TL;DR: NCIOpen2_007730 (CAS 7785-54-8) is a chemical compound with molecular formula C11H15Cl3NOPS and molecular weight 344.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)sulfanyl-methylphosphoryl]ethanamine
Also Known As: NCIOpen2_007730, s-(4-chlorophenyl) n,n-bis(2-chloroethyl)-p-methylphosphonamidothioate, 2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)sulfanyl-methylphosphoryl]ethanamine
| Molecular Formula | C11H15Cl3NOPS |
|---|---|
| Molecular Weight | 344.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.96774 |
| Heavy Atoms | 18 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 7785-54-8 |
|---|---|
| SMILES | CP(=O)(N(CCCl)CCCl)SC1=CC=C(C=C1)Cl |
| InChIKey | ZPWHJZWSHHJQEY-UHFFFAOYSA-N |
Product Overview
NCIOpen2_007730 (CAS 7785-54-8), with molecular formula C11H15Cl3NOPS and molecular weight 344.97 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[(4-chlorophenyl)sulfanyl-methylphosphoryl]ethanamine.
Chemical Property Profile of NCIOpen2_007730
Property Insights of NCIOpen2_007730
The XLogP value of 3.4 indicates that NCIOpen2_007730 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, NCIOpen2_007730 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_007730 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 NCIOpen2_007730?
The CAS number of NCIOpen2_007730 is 7785-54-8.
What is the molecular formula of NCIOpen2_007730?
The molecular formula of NCIOpen2_007730 is C11H15Cl3NOPS.
What is the molecular weight of NCIOpen2_007730?
The molecular weight of NCIOpen2_007730 is 344.97 g/mol.
Where can I buy NCIOpen2_007730?
You can request a quote for NCIOpen2_007730 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007730?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007730 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.