![2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine structure](/static/products/769/7698-95-5.png)
2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine
TL;DR: 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine (CAS 7698-95-5) is a chemical compound with molecular formula C8H17Cl3NOPS and molecular weight 310.98 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(propylsulfanyl)phosphoryl]ethanamine
Also Known As: NCIOpen2_007928, s-propyl n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidothioate, 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine
| Molecular Formula | C8H17Cl3NOPS |
|---|---|
| Molecular Weight | 310.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 310.9834 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 7698-95-5 |
|---|---|
| SMILES | CCCSP(=O)(CCl)N(CCCl)CCCl |
| InChIKey | YOQPCVGVSAGJFZ-UHFFFAOYSA-N |
Product Overview
2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine (CAS 7698-95-5), with molecular formula C8H17Cl3NOPS and molecular weight 310.98 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine.
Chemical Property Profile of 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine
Property Insights of 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine. With a topological polar surface area (TPSA) of 45.6 Ų, 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine 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 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine?
The CAS number of 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine is 7698-95-5.
What is the molecular formula of 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine?
The molecular formula of 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine is C8H17Cl3NOPS.
What is the molecular weight of 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine?
The molecular weight of 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine is 310.98 g/mol.
Where can I buy 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine?
You can request a quote for 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(propylsulfanyl)phosphoryl]ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.