2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate
TL;DR: 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate (CAS 78218-87-8) is a chemical compound with molecular formula C9H20Cl3N2O3P and molecular weight 340.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]propan-2-ol
Also Known As: B 698, B-698, Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)-, (2-chloroethyl) ester, 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate, 1-({[bis(2-chloroethyl)amino](2-chloroethoxy)phosphoryl}amino)propan-2-ol
| Molecular Formula | C9H20Cl3N2O3P |
|---|---|
| Molecular Weight | 340.03 g/mol |
| LogP | 2.0999 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 340.0277 |
| Heavy Atoms | 18 |
| Complexity | 253.21236 |
Chemical Identifiers
| CAS Number | 78218-87-8 |
|---|---|
| SMILES | CC(CNP(=O)(N(CCCl)CCCl)OCCCl)O |
Product Overview
2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate (CAS 78218-87-8), with molecular formula C9H20Cl3N2O3P and molecular weight 340.03 g/mol. IUPAC: 1-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]propan-2-ol.
Chemical Property Profile of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate
Property Insights of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate
The XLogP value of 2.0999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate. Following Lipinski's Rule of Five, 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate has 2 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-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate?
The CAS number of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate is 78218-87-8.
What is the molecular formula of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate?
The molecular formula of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate is C9H20Cl3N2O3P.
What is the molecular weight of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate?
The molecular weight of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate is 340.03 g/mol.
Where can I buy 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate?
You can request a quote for 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)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-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(2-hydroxypropyl)phosphorodiamidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.