Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester
TL;DR: Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester (CAS 5781-91-9) is a chemical compound with molecular formula C10H22Cl2NO3P and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2-diethoxyphosphorylethanamine
Also Known As: Dodecanenitrile,3-butyl-4-oxo, Diethyl (2-(bis(2-chloroethyl)amino)ethyl)phosphonate, N,N-bis(2-chloroethyl)-2-diethoxyphosphorylethanamine, O,O-Diethyl 2-bis(2-chloroethyl)aminoethylphosphonate, J2.544.608I
| Molecular Formula | C10H22Cl2NO3P |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 305.07144 |
| Heavy Atoms | 17 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 5781-91-9 |
|---|---|
| SMILES | CCOP(=O)(CCN(CCCl)CCCl)OCC |
| InChIKey | VGCJGTDDORALDB-UHFFFAOYSA-N |
Product Overview
Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester (CAS 5781-91-9), with molecular formula C10H22Cl2NO3P and molecular weight 305.07 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-diethoxyphosphorylethanamine.
Chemical Property Profile of Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester
Property Insights of Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester. With a topological polar surface area (TPSA) of 38.8 Ų, Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester has 0 hydrogen bond donor(s) and 4 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 Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester?
The CAS number of Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester is 5781-91-9.
What is the molecular formula of Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester?
The molecular formula of Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester is C10H22Cl2NO3P.
What is the molecular weight of Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester?
The molecular weight of Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester is 305.07 g/mol.
Where can I buy Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester?
You can request a quote for Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (2-(bis(2-chloroethyl)amino)ethyl)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.