(2-Chloro-allyl)-phosphonic acid diethyl ester
TL;DR: (2-Chloro-allyl)-phosphonic acid diethyl ester (CAS 16486-02-5) is a chemical compound with molecular formula C7H14ClO3P and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-diethoxyphosphorylprop-1-ene
Also Known As: diethyl 2-chloroallylphosphonate, 2-chloro-3-diethoxyphosphorylprop-1-ene, 2-chloro-3-diethoxyphosphoryl-prop-1-ene, Diethyl (2-chloroprop-2-en-1-yl)phosphonate, (2-CHLORO-ALLYL)-PHOSPHONIC ACID DIETHYL ESTER
| Molecular Formula | C7H14ClO3P |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 3.005 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.03691 |
| Heavy Atoms | 12 |
| Complexity | 183.09052 |
Chemical Identifiers
| CAS Number | 16486-02-5 |
|---|---|
| SMILES | CCOP(=O)(CC(=C)Cl)OCC |
Product Overview
(2-Chloro-allyl)-phosphonic acid diethyl ester (CAS 16486-02-5), with molecular formula C7H14ClO3P and molecular weight 212.04 g/mol. IUPAC: 2-chloro-3-diethoxyphosphorylprop-1-ene.
Chemical Property Profile of (2-Chloro-allyl)-phosphonic acid diethyl ester
Property Insights of (2-Chloro-allyl)-phosphonic acid diethyl ester
The XLogP value of 3.005 indicates that (2-Chloro-allyl)-phosphonic acid diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, (2-Chloro-allyl)-phosphonic acid diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chloro-allyl)-phosphonic acid diethyl ester 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-allyl)-phosphonic acid diethyl ester?
The CAS number of (2-Chloro-allyl)-phosphonic acid diethyl ester is 16486-02-5.
What is the molecular formula of (2-Chloro-allyl)-phosphonic acid diethyl ester?
The molecular formula of (2-Chloro-allyl)-phosphonic acid diethyl ester is C7H14ClO3P.
What is the molecular weight of (2-Chloro-allyl)-phosphonic acid diethyl ester?
The molecular weight of (2-Chloro-allyl)-phosphonic acid diethyl ester is 212.04 g/mol.
Where can I buy (2-Chloro-allyl)-phosphonic acid diethyl ester?
You can request a quote for (2-Chloro-allyl)-phosphonic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloro-allyl)-phosphonic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-allyl)-phosphonic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.