Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate
TL;DR: Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate (CAS 17747-24-9) is a chemical compound with molecular formula C15H21O6P and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylpropyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate
Also Known As: Shell SD-8306, SD 8306, ENT 25,839, 1-phenylpropyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate, CROTONIC ACID, 3-HYDROXY-, alpha-ETHYLBENZYL ESTER, DIMETHYL PHOSPHATE
| Molecular Formula | C15H21O6P |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 4.0022 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.10757 |
| Heavy Atoms | 22 |
| Complexity | 546.4109 |
Chemical Identifiers
| CAS Number | 17747-24-9 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)OC(=O)/C=C(/C)\OP(=O)(OC)OC |
Product Overview
Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate (CAS 17747-24-9), with molecular formula C15H21O6P and molecular weight 328.11 g/mol. IUPAC: 1-phenylpropyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate.
Chemical Property Profile of Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate
Property Insights of Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate
The XLogP value of 4.0022 indicates that Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate. Following Lipinski's Rule of Five, Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate 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 Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate?
The CAS number of Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate is 17747-24-9.
What is the molecular formula of Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate?
The molecular formula of Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate is C15H21O6P.
What is the molecular weight of Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate?
The molecular weight of Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate is 328.11 g/mol.
Where can I buy Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate?
You can request a quote for Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Crotonic acid, 3-hydroxy-, alpha-ethylbenzyl ester, dimethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.