1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate
TL;DR: 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate (CAS 3686-91-7) is a chemical compound with molecular formula C7H12Cl3O4P and molecular weight 295.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate
Also Known As: Bayer 24869, ENT 24,940, ENT 24940, 1-chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate, B-24869
| Molecular Formula | C7H12Cl3O4P |
|---|---|
| Molecular Weight | 295.95 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.9539 |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 3686-91-7 |
|---|---|
| SMILES | CCOP(=O)(OC=C(Cl)Cl)OC(C)CCl |
| InChIKey | DBXLXQARGYPSST-UHFFFAOYSA-N |
Product Overview
1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate (CAS 3686-91-7), with molecular formula C7H12Cl3O4P and molecular weight 295.95 g/mol. IUPAC: 1-chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate.
Chemical Property Profile of 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate
Property Insights of 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate. With a topological polar surface area (TPSA) of 44.8 Ų, 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl 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 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate?
The CAS number of 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate is 3686-91-7.
What is the molecular formula of 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate?
The molecular formula of 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate is C7H12Cl3O4P.
What is the molecular weight of 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate?
The molecular weight of 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate is 295.95 g/mol.
Where can I buy 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate?
You can request a quote for 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloropropan-2-yl 2,2-dichloroethenyl ethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.