![2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine structure](/static/products/1057/105705-86-0.webp)
2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine
TL;DR: 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine (CAS 105705-86-0) is a chemical compound with molecular formula C8H14Cl2NO2P and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine
Also Known As: prop-2-yn-1-yl n,n-bis(2-chloroethyl)-p-methylphosphonamidate, 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine, Phosphonamidicacid, N,N-bis(2-chloroethyl)-P-methyl-, 2-propyn-1-yl ester, Phosphonamidicacid,N,N-bis(2-chloroethyl)-p-methyl-,2-propyn-1-yl ester
| Molecular Formula | C8H14Cl2NO2P |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 257.01392 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 105705-86-0 |
|---|---|
| SMILES | CP(=O)(N(CCCl)CCCl)OCC#C |
| InChIKey | VBOKNIKNUMFDFD-UHFFFAOYSA-N |
Product Overview
2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine (CAS 105705-86-0), with molecular formula C8H14Cl2NO2P and molecular weight 257.01 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine.
Chemical Property Profile of 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine
Property Insights of 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine. With a topological polar surface area (TPSA) of 29.5 Ų, 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine 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 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine?
The CAS number of 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine is 105705-86-0.
What is the molecular formula of 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine?
The molecular formula of 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine is C8H14Cl2NO2P.
What is the molecular weight of 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine?
The molecular weight of 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine is 257.01 g/mol.
Where can I buy 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine?
You can request a quote for 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(2-chloroethyl)-N-[methyl(prop-2-ynoxy)phosphoryl]ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.