(2-Chloro-1-phenylethenyl) diethyl phosphate
TL;DR: (2-Chloro-1-phenylethenyl) diethyl phosphate (CAS 31327-17-0) is a chemical compound with molecular formula C12H16ClO4P and molecular weight 290.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-1-phenylethenyl) diethyl phosphate
Also Known As: Phosphoric acid, (1Z)-2-chloro-1-phenylethenyl diethyl ester
| Molecular Formula | C12H16ClO4P |
|---|---|
| Molecular Weight | 290.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.0475 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 31327-17-0 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC(=CCl)C1=CC=CC=C1 |
| InChIKey | LPHRLQIUJWZJDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Chloro-1-phenylethenyl) diethyl phosphate (CAS 31327-17-0), with molecular formula C12H16ClO4P and molecular weight 290.05 g/mol. IUPAC: (2-chloro-1-phenylethenyl) diethyl phosphate.
Chemical Property Profile of (2-Chloro-1-phenylethenyl) diethyl phosphate
Property Insights of (2-Chloro-1-phenylethenyl) diethyl phosphate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Chloro-1-phenylethenyl) diethyl phosphate. With a topological polar surface area (TPSA) of 44.8 Ų, (2-Chloro-1-phenylethenyl) diethyl phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chloro-1-phenylethenyl) diethyl 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-Chloro-1-phenylethenyl) diethyl phosphate?
The CAS number of (2-Chloro-1-phenylethenyl) diethyl phosphate is 31327-17-0.
What is the molecular formula of (2-Chloro-1-phenylethenyl) diethyl phosphate?
The molecular formula of (2-Chloro-1-phenylethenyl) diethyl phosphate is C12H16ClO4P.
What is the molecular weight of (2-Chloro-1-phenylethenyl) diethyl phosphate?
The molecular weight of (2-Chloro-1-phenylethenyl) diethyl phosphate is 290.05 g/mol.
Where can I buy (2-Chloro-1-phenylethenyl) diethyl phosphate?
You can request a quote for (2-Chloro-1-phenylethenyl) diethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloro-1-phenylethenyl) diethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-1-phenylethenyl) diethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.