2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate
TL;DR: 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate (CAS 78218-79-8) is a chemical compound with molecular formula C8H17Cl4N2O2P and molecular weight 343.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]-2-chloroethanamine
Also Known As: B 718, B-718, 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate, Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(2-chloroethyl)-, (2-chloroethyl) ester, [(2-chloroethoxy)[(2-chloroethyl)amino]phosphoryl]bis(2-chloroethyl)amine
| Molecular Formula | C8H17Cl4N2O2P |
|---|---|
| Molecular Weight | 343.98 g/mol |
| LogP | 2.9579 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 343.97818 |
| Heavy Atoms | 17 |
| Complexity | 217.57072 |
Chemical Identifiers
| CAS Number | 78218-79-8 |
|---|---|
| SMILES | C(CCl)NP(=O)(N(CCCl)CCCl)OCCCl |
Product Overview
2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate (CAS 78218-79-8), with molecular formula C8H17Cl4N2O2P and molecular weight 343.98 g/mol. IUPAC: N-[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]-2-chloroethanamine.
Chemical Property Profile of 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate
Property Insights of 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate
The XLogP value of 2.9579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate. With a topological polar surface area (TPSA) of 41.57 Ų, 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate has 1 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 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate?
The CAS number of 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate is 78218-79-8.
What is the molecular formula of 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate?
The molecular formula of 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate is C8H17Cl4N2O2P.
What is the molecular weight of 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate?
The molecular weight of 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate is 343.98 g/mol.
Where can I buy 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate?
You can request a quote for 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl N,N,N'-tris(2-chloroethyl)phosphorodiamidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.