4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate
TL;DR: 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate (CAS 78218-68-5) is a chemical compound with molecular formula C10H20Cl4NO3P and molecular weight 372.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[4-chlorobutoxy(2-chloroethoxy)phosphoryl]-N-(2-chloroethyl)ethanamine
Also Known As: B 658, B-658, 4-Chlorobutyl 2-chloroethyl-N,N-bis(2-chloroethyl)phosphoramidate, 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate, Phosphoramidic acid, N,N-bis(2-chloroethyl)-, O-(4-chlorobutyl)-O-(2-chloroethyl) ester
| Molecular Formula | C10H20Cl4NO3P |
|---|---|
| Molecular Weight | 372.99 g/mol |
| LogP | 4.1651 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 372.9935 |
| Heavy Atoms | 19 |
| Complexity | 254.92926 |
Chemical Identifiers
| CAS Number | 78218-68-5 |
|---|---|
| SMILES | C(CCCl)COP(=O)(N(CCCl)CCCl)OCCCl |
Product Overview
4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate (CAS 78218-68-5), with molecular formula C10H20Cl4NO3P and molecular weight 372.99 g/mol. IUPAC: 2-chloro-N-[4-chlorobutoxy(2-chloroethoxy)phosphoryl]-N-(2-chloroethyl)ethanamine.
Chemical Property Profile of 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate
Property Insights of 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate
The XLogP value of 4.1651 indicates that 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate 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 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate?
The CAS number of 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate is 78218-68-5.
What is the molecular formula of 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate?
The molecular formula of 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate is C10H20Cl4NO3P.
What is the molecular weight of 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate?
The molecular weight of 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate is 372.99 g/mol.
Where can I buy 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate?
You can request a quote for 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobutyl 2-chloroethyl N,N-bis(2-chloroethyl)phosphoramidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.