Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate
TL;DR: Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate (CAS 153295-90-0) is a chemical compound with molecular formula C12H18O6 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (2E,4S,5S,6E)-4,5-dihydroxyocta-2,6-dienedioate
Also Known As: Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate, Diethyl (4S,5S)-4,5-dihydroxy-2E,6E-octadienedioate, diethyl (2E,4S,5S,6E)-4,5-dihydroxyocta-2,6-dienedioate, 1,8-diethyl (2E,4S,5S,6E)-4,5-dihydroxyocta-2,6-dienedioate, (2E,4S,5S,6E)-4,5-Dihydroxy-2,6-octadienedioic acid diethyl ester
| Molecular Formula | C12H18O6 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | -0.0532 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 258.11035 |
| Heavy Atoms | 18 |
| Complexity | 288.52933 |
Chemical Identifiers
| CAS Number | 153295-90-0 |
|---|---|
| SMILES | CCOC(=O)/C=C/[C@H](O)[C@@H](O)/C=C/C(=O)OCC |
Product Overview
Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate (CAS 153295-90-0), with molecular formula C12H18O6 and molecular weight 258.11 g/mol. IUPAC: diethyl (2E,4S,5S,6E)-4,5-dihydroxyocta-2,6-dienedioate.
Chemical Property Profile of Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate
Property Insights of Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate
The XLogP value of -0.0532 indicates that Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate. Following Lipinski's Rule of Five, Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate has 2 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 Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate?
The CAS number of Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate is 153295-90-0.
What is the molecular formula of Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate?
The molecular formula of Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate is C12H18O6.
What is the molecular weight of Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate?
The molecular weight of Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate is 258.11 g/mol.
Where can I buy Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate?
You can request a quote for Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl-(4S,5-bis(hydroxy)-2,6-octadienedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.