2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate
TL;DR: 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate (CAS 78218-70-9) is a chemical compound with molecular formula C12H26Cl3N2O3P and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-chloro-1-(diethylamino)butan-2-yl]oxy-N,N-bis(2-chloroethyl)phosphonamidic acid
Also Known As: 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate, Phosphoramidic acid, N,N-bis(2-chloroethyl)-, O-(2-chloroethyl)-O-(diethylaminoethyl) ester, 4-Chloro-1-(diethylamino)butan-2-yl hydrogen N,N-bis(2-chloroethyl)phosphoramidate, [4-chloro-1-(diethylamino)butan-2-yl]oxy-N,N-bis(2-chloroethyl)phosphonamidic acid, Phosphoramidic acid, bis(2-chloroethyl)-, 2-chloroethyl 2-(diethylamino)ethyl ester
| Molecular Formula | C12H26Cl3N2O3P |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 3.2223 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 382.07468 |
| Heavy Atoms | 21 |
| Complexity | 303.47223 |
Chemical Identifiers
| CAS Number | 78218-70-9 |
|---|---|
| SMILES | CCN(CC)CC(CCCl)OP(=O)(N(CCCl)CCCl)O |
Product Overview
2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate (CAS 78218-70-9), with molecular formula C12H26Cl3N2O3P and molecular weight 382.07 g/mol. IUPAC: [4-chloro-1-(diethylamino)butan-2-yl]oxy-N,N-bis(2-chloroethyl)phosphonamidic acid.
Chemical Property Profile of 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate
Property Insights of 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate
The XLogP value of 3.2223 indicates that 2-Chloroethyl diethylaminoethyl 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 53.01 Ų, 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate has 1 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 diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate?
The CAS number of 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate is 78218-70-9.
What is the molecular formula of 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate?
The molecular formula of 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate is C12H26Cl3N2O3P.
What is the molecular weight of 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate?
The molecular weight of 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate is 382.07 g/mol.
Where can I buy 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate?
You can request a quote for 2-Chloroethyl diethylaminoethyl 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 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl diethylaminoethyl N,N-bis(2-chloroethyl)phosphoramidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.