Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate
TL;DR: Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate (CAS 107400-59-9) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate
Also Known As: Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate, ethyl (syn)-3,5-dihydroxy-hept-6-enoate, (3R,5S)-3,5-Dihydroxy-6-heptenoic acid ethyl ester, 6-Heptenoic acid, 3,5-dihydroxy-, ethyl ester, (3R,5S)-
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 0.2375 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 166.99763 |
Chemical Identifiers
| CAS Number | 107400-59-9 |
|---|---|
| SMILES | CCOC(=O)C[C@@H](C[C@@H](C=C)O)O |
Product Overview
Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate (CAS 107400-59-9), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate.
Chemical Property Profile of Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate
Property Insights of Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate
The XLogP value of 0.2375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate. Following Lipinski's Rule of Five, Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate has 2 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 Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate?
The CAS number of Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate is 107400-59-9.
What is the molecular formula of Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate?
The molecular formula of Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate is C9H16O4.
What is the molecular weight of Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate?
The molecular weight of Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate is 188.10 g/mol.
Where can I buy Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate?
You can request a quote for Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.