Benzyl 3-dimethoxyphosphoryloxybut-2-enoate
TL;DR: Benzyl 3-dimethoxyphosphoryloxybut-2-enoate (CAS 2703-61-9) is a chemical compound with molecular formula C13H17O6P and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-dimethoxyphosphoryloxybut-2-enoate
Also Known As: Shell SD-4092, ENT 24,654, AI3-24654, 4-06-00-02475 (Beilstein Handbook Reference), Crotonic acid, 3-hydroxy-, benzyl ester, dimethyl phosphate
| Molecular Formula | C13H17O6P |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 300.07626 |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 2703-61-9 |
|---|---|
| SMILES | CC(=CC(=O)OCC1=CC=CC=C1)OP(=O)(OC)OC |
| InChIKey | GZMFAOPDGXFQBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 3-dimethoxyphosphoryloxybut-2-enoate (CAS 2703-61-9), with molecular formula C13H17O6P and molecular weight 300.08 g/mol. IUPAC: benzyl 3-dimethoxyphosphoryloxybut-2-enoate.
Chemical Property Profile of Benzyl 3-dimethoxyphosphoryloxybut-2-enoate
Property Insights of Benzyl 3-dimethoxyphosphoryloxybut-2-enoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-dimethoxyphosphoryloxybut-2-enoate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 3-dimethoxyphosphoryloxybut-2-enoate. Following Lipinski's Rule of Five, Benzyl 3-dimethoxyphosphoryloxybut-2-enoate has 0 hydrogen bond donor(s) and 6 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 Benzyl 3-dimethoxyphosphoryloxybut-2-enoate?
The CAS number of Benzyl 3-dimethoxyphosphoryloxybut-2-enoate is 2703-61-9.
What is the molecular formula of Benzyl 3-dimethoxyphosphoryloxybut-2-enoate?
The molecular formula of Benzyl 3-dimethoxyphosphoryloxybut-2-enoate is C13H17O6P.
What is the molecular weight of Benzyl 3-dimethoxyphosphoryloxybut-2-enoate?
The molecular weight of Benzyl 3-dimethoxyphosphoryloxybut-2-enoate is 300.08 g/mol.
Where can I buy Benzyl 3-dimethoxyphosphoryloxybut-2-enoate?
You can request a quote for Benzyl 3-dimethoxyphosphoryloxybut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-dimethoxyphosphoryloxybut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-dimethoxyphosphoryloxybut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.