2,2-Dichloroethenyl methyl propan-2-yl phosphate
TL;DR: 2,2-Dichloroethenyl methyl propan-2-yl phosphate (CAS 5301-54-2) is a chemical compound with molecular formula C6H11Cl2O4P and molecular weight 247.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethenyl methyl propan-2-yl phosphate
Also Known As: 2,2-dichloroethenyl methyl propan-2-yl phosphate, Phosphoric acid, 2,2-dichlorovinyl isopropyl methyl ester, (2,2-Dichlorovinyl)isopropylmethyl=phosphate, 2,2-Dichlorovinyl isopropyl methyl ester of phosphoric acid, 2,2-Dichloroethen-1-yl methyl propan-2-yl phosphate
| Molecular Formula | C6H11Cl2O4P |
|---|---|
| Molecular Weight | 247.98 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.9772 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 5301-54-2 |
|---|---|
| SMILES | CC(C)OP(=O)(OC)OC=C(Cl)Cl |
| InChIKey | VBAXPQCCVNMHRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dichloroethenyl methyl propan-2-yl phosphate (CAS 5301-54-2), with molecular formula C6H11Cl2O4P and molecular weight 247.98 g/mol. IUPAC: 2,2-dichloroethenyl methyl propan-2-yl phosphate.
Chemical Property Profile of 2,2-Dichloroethenyl methyl propan-2-yl phosphate
Property Insights of 2,2-Dichloroethenyl methyl propan-2-yl phosphate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloroethenyl methyl propan-2-yl phosphate. With a topological polar surface area (TPSA) of 44.8 Ų, 2,2-Dichloroethenyl methyl propan-2-yl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloroethenyl methyl propan-2-yl phosphate has 0 hydrogen bond donor(s) and 4 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 methyl propan-2-yl phosphate?
The CAS number of 2,2-Dichloroethenyl methyl propan-2-yl phosphate is 5301-54-2.
What is the molecular formula of 2,2-Dichloroethenyl methyl propan-2-yl phosphate?
The molecular formula of 2,2-Dichloroethenyl methyl propan-2-yl phosphate is C6H11Cl2O4P.
What is the molecular weight of 2,2-Dichloroethenyl methyl propan-2-yl phosphate?
The molecular weight of 2,2-Dichloroethenyl methyl propan-2-yl phosphate is 247.98 g/mol.
Where can I buy 2,2-Dichloroethenyl methyl propan-2-yl phosphate?
You can request a quote for 2,2-Dichloroethenyl methyl propan-2-yl phosphate 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 methyl propan-2-yl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloroethenyl methyl propan-2-yl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.