2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate
TL;DR: 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate (CAS 78218-98-1) is a chemical compound with molecular formula C9H20Cl3N2O2P and molecular weight 324.03 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]propan-1-amine
Also Known As: B 711, B-711, Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-propyl-, (2-chloroethyl) ester, 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate, [(2-chloroethoxy)(propylamino)phosphoryl]bis(2-chloroethyl)amine
| Molecular Formula | C9H20Cl3N2O2P |
|---|---|
| Molecular Weight | 324.03 g/mol |
| LogP | 3.1291 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 324.0328 |
| Heavy Atoms | 17 |
| Complexity | 216.2865 |
Chemical Identifiers
| CAS Number | 78218-98-1 |
|---|---|
| SMILES | CCCNP(=O)(N(CCCl)CCCl)OCCCl |
Product Overview
2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate (CAS 78218-98-1), with molecular formula C9H20Cl3N2O2P and molecular weight 324.03 g/mol. IUPAC: N-[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]propan-1-amine.
Chemical Property Profile of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate
Property Insights of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate
The XLogP value of 3.1291 indicates that 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate 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-bis(2-chloroethyl)-N'-propylphosphorodiamidate?
The CAS number of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate is 78218-98-1.
What is the molecular formula of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate?
The molecular formula of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate is C9H20Cl3N2O2P.
What is the molecular weight of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate?
The molecular weight of 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate is 324.03 g/mol.
Where can I buy 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate?
You can request a quote for 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate 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'-propylphosphorodiamidate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl N,N-bis(2-chloroethyl)-N'-propylphosphorodiamidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.