Butan-2-yl 2,2-dichloroethenyl methyl phosphate
TL;DR: Butan-2-yl 2,2-dichloroethenyl methyl phosphate (CAS 39252-19-2) is a chemical compound with molecular formula C7H13Cl2O4P and molecular weight 261.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2,2-dichloroethenyl methyl phosphate
Also Known As: butan-2-yl 2,2-dichloroethenyl methyl phosphate, Phosphoric acid, 2,2-dichlorovinyl butyl methyl ester, sec-butyl (2,2-dichlorovinyl) methyl phosphate, 2,2-Dichlorovinyl butyl methyl ester of phosphoric acid, Butan-2-yl 2,2-dichloroethen-1-yl methyl phosphate
| Molecular Formula | C7H13Cl2O4P |
|---|---|
| Molecular Weight | 261.99 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.99286 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 39252-19-2 |
|---|---|
| SMILES | CCC(C)OP(=O)(OC)OC=C(Cl)Cl |
| InChIKey | DWORZBHHACHFTC-UHFFFAOYSA-N |
Product Overview
Butan-2-yl 2,2-dichloroethenyl methyl phosphate (CAS 39252-19-2), with molecular formula C7H13Cl2O4P and molecular weight 261.99 g/mol. IUPAC: butan-2-yl 2,2-dichloroethenyl methyl phosphate.
Chemical Property Profile of Butan-2-yl 2,2-dichloroethenyl methyl phosphate
Property Insights of Butan-2-yl 2,2-dichloroethenyl methyl phosphate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butan-2-yl 2,2-dichloroethenyl methyl phosphate. With a topological polar surface area (TPSA) of 44.8 Ų, Butan-2-yl 2,2-dichloroethenyl methyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-yl 2,2-dichloroethenyl methyl 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 Butan-2-yl 2,2-dichloroethenyl methyl phosphate?
The CAS number of Butan-2-yl 2,2-dichloroethenyl methyl phosphate is 39252-19-2.
What is the molecular formula of Butan-2-yl 2,2-dichloroethenyl methyl phosphate?
The molecular formula of Butan-2-yl 2,2-dichloroethenyl methyl phosphate is C7H13Cl2O4P.
What is the molecular weight of Butan-2-yl 2,2-dichloroethenyl methyl phosphate?
The molecular weight of Butan-2-yl 2,2-dichloroethenyl methyl phosphate is 261.99 g/mol.
Where can I buy Butan-2-yl 2,2-dichloroethenyl methyl phosphate?
You can request a quote for Butan-2-yl 2,2-dichloroethenyl methyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl 2,2-dichloroethenyl methyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl 2,2-dichloroethenyl methyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.