Shell SD-5090
TL;DR: Shell SD-5090 (CAS 64050-67-5) is a chemical compound with molecular formula C16H22ClO6P and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)ethyl (E)-3-diethoxyphosphoryloxybut-2-enoate
Also Known As: Shell SD-5090, ENT 25,512, Phosphoric acid, 1-(p-chloro-alpha-methylbenzyloxycarbonyl)-1-propen-2-yl diethyl ester, Crotonic acid, 3-hydroxy-, p-chloro-alpha-methylbenzyl ester, diethyl phosphate, 1-(4-chlorophenyl)ethyl (E)-3-diethoxyphosphoryloxybut-2-enoate
| Molecular Formula | C16H22ClO6P |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 5.0457 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 376.08426 |
| Heavy Atoms | 24 |
| Complexity | 603.4986 |
Chemical Identifiers
| CAS Number | 64050-67-5 |
|---|---|
| SMILES | CCOP(=O)(OCC)O/C(=C/C(=O)OC(C)C1=CC=C(C=C1)Cl)/C |
Product Overview
Shell SD-5090 (CAS 64050-67-5), with molecular formula C16H22ClO6P and molecular weight 376.08 g/mol. IUPAC: 1-(4-chlorophenyl)ethyl (E)-3-diethoxyphosphoryloxybut-2-enoate.
Chemical Property Profile of Shell SD-5090
Property Insights of Shell SD-5090
The XLogP value of 5.0457 indicates that Shell SD-5090 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 Shell SD-5090. Following Lipinski's Rule of Five, Shell SD-5090 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Shell SD-5090?
The CAS number of Shell SD-5090 is 64050-67-5.
What is the molecular formula of Shell SD-5090?
The molecular formula of Shell SD-5090 is C16H22ClO6P.
What is the molecular weight of Shell SD-5090?
The molecular weight of Shell SD-5090 is 376.08 g/mol.
Where can I buy Shell SD-5090?
You can request a quote for Shell SD-5090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shell SD-5090?
Yes, KEHONG BIO provides custom synthesis services for Shell SD-5090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.