Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester
TL;DR: Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester (CAS 18228-90-5) is a chemical compound with molecular formula C22H30Cl2N3O2P and molecular weight 469.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-benzylpiperazin-1-yl)-phenylmethoxyphosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
Also Known As: Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester, N-[(4-benzylpiperazin-1-yl)-phenylmethoxyphosphoryl]-2-chlor, Phosphonamidic acid, P-(4-benzyl-1-piperazinyl)-N,N-bis(2-chloroethyl)-, benzyl ester, Benzyl P-(4-benzylpiperazin-1-yl)-N,N-bis(2-chloroethyl)phosphonamidate, N-[(4-benzylpiperazin-1-yl)-phenylmethoxyphosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
| Molecular Formula | C22H30Cl2N3O2P |
|---|---|
| Molecular Weight | 469.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 36.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 469.14526 |
| Heavy Atoms | 30 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 18228-90-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)P(=O)(N(CCCl)CCCl)OCC3=CC=CC=C3 |
| InChIKey | ICNYVSFMUJRIIT-UHFFFAOYSA-N |
Product Overview
Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester (CAS 18228-90-5), with molecular formula C22H30Cl2N3O2P and molecular weight 469.15 g/mol. IUPAC: N-[(4-benzylpiperazin-1-yl)-phenylmethoxyphosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine.
Chemical Property Profile of Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester
Property Insights of Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester
The XLogP value of 3.9 indicates that Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.0 Ų, Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester has 0 hydrogen bond donor(s) and 5 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 Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester?
The CAS number of Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester is 18228-90-5.
What is the molecular formula of Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester?
The molecular formula of Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester is C22H30Cl2N3O2P.
What is the molecular weight of Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester?
The molecular weight of Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester is 469.15 g/mol.
Where can I buy Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester?
You can request a quote for Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonamidic acid,N-bis(2-chloroethyl)-, benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.