ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate
TL;DR: ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate (CAS 91089-08-6) is a chemical compound with molecular formula C7H16Cl2NO2P and molecular weight 247.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-[ethoxy(methyl)phosphoryl]ethanamine
Also Known As: ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate, 2-chloro-N-(2-chloroethyl)-N-[ethoxy(methyl)phosphoryl]ethanamine, Phosphonamidic acid, N,N-bis(2-chloroethyl)-P-methyl, ethyl ester, Phosphonamidic acid,N-bis(2-chloroethyl)-P-methyl, ethyl ester
| Molecular Formula | C7H16Cl2NO2P |
|---|---|
| Molecular Weight | 247.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 247.02957 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 91089-08-6 |
|---|---|
| SMILES | CCOP(=O)(C)N(CCCl)CCCl |
| InChIKey | LJZBVSDEXGPBNX-UHFFFAOYSA-N |
Product Overview
ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate (CAS 91089-08-6), with molecular formula C7H16Cl2NO2P and molecular weight 247.03 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[ethoxy(methyl)phosphoryl]ethanamine.
Chemical Property Profile of ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate
Property Insights of ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate. With a topological polar surface area (TPSA) of 29.5 Ų, ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate 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 ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate?
The CAS number of ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate is 91089-08-6.
What is the molecular formula of ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate?
The molecular formula of ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate is C7H16Cl2NO2P.
What is the molecular weight of ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate?
The molecular weight of ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate is 247.03 g/mol.
Where can I buy ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate?
You can request a quote for ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N,N-bis(2-chloroethyl)-P-methylphosphonamidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.