2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate
TL;DR: 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate (CAS 631-50-5) is a chemical compound with molecular formula C8H13Cl2O3P and molecular weight 258.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,2-dichloroethenoxy(prop-2-enyl)phosphoryl]oxypropane
Also Known As: 2,2-dichloroethenyl propyl prop-2-en-1-ylphosphonate, Allylphosphonic acid 2,2-dichlorovinyl propyl ester, Phosphonic acid, allyl-, 2,2-dichlorovinyl propyl ester, Phosphonic acid, 2-propenyl-, 2,2-dichloroethenyl propyl ester, 1-[2,2-dichloroethenoxy(prop-2-enyl)phosphoryl]oxypropane
| Molecular Formula | C8H13Cl2O3P |
|---|---|
| Molecular Weight | 258.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 257.99792 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 631-50-5 |
|---|---|
| SMILES | CCCOP(=O)(CC=C)OC=C(Cl)Cl |
| InChIKey | JIYGJLBGACBXNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate (CAS 631-50-5), with molecular formula C8H13Cl2O3P and molecular weight 258.00 g/mol. IUPAC: 1-[2,2-dichloroethenoxy(prop-2-enyl)phosphoryl]oxypropane.
Chemical Property Profile of 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate
Property Insights of 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate 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 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate?
The CAS number of 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate is 631-50-5.
What is the molecular formula of 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate?
The molecular formula of 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate is C8H13Cl2O3P.
What is the molecular weight of 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate?
The molecular weight of 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate is 258.00 g/mol.
Where can I buy 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate?
You can request a quote for 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloroethenyl propyl prop-2-en-1-ylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.