2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)phosphorodiamidate
TL;DR: 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)phosphorodiamidate (CAS 78218-80-1) is a chemical compound with molecular formula C10H22Cl3N2O3P and molecular weight 354.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]butan-2-ol
Also Known As: B 696, B-696, Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)-, (2-chloroethyl) ester, 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)phosphorodiamidate, 4-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]butan-2-ol
| Molecular Formula | C10H22Cl3N2O3P |
|---|---|
| Molecular Weight | 354.04 g/mol |
| LogP | 2.49 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 354.04337 |
| Heavy Atoms | 19 |
| Complexity | 266.40442 |
Chemical Identifiers
| CAS Number | 78218-80-1 |
|---|---|
| SMILES | CC(CCNP(=O)(N(CCCl)CCCl)OCCCl)O |
Product Overview
2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)phosphorodiamidate (CAS 78218-80-1), with molecular formula C10H22Cl3N2O3P and molecular weight 354.04 g/mol. IUPAC: 4-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]butan-2-ol.
Chemical Property Profile of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)phosphorodiamidate
Property Insights of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)phosphorodiamidate
The XLogP value of 2.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)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'-(3-hydroxybutyl)phosphorodiamidate. Following Lipinski's Rule of Five, 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)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'-(3-hydroxybutyl)phosphorodiamidate?
The CAS number of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)phosphorodiamidate is 78218-80-1.
What is the molecular formula of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)phosphorodiamidate?
The molecular formula of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)phosphorodiamidate is C10H22Cl3N2O3P.
What is the molecular weight of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)phosphorodiamidate?
The molecular weight of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)phosphorodiamidate is 354.04 g/mol.
Where can I buy 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)phosphorodiamidate?
You can request a quote for 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)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'-(3-hydroxybutyl)phosphorodiamidate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-(3-hydroxybutyl)phosphorodiamidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.