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 188.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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)-, CTK1D1251
Technical Specifications
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.10486 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.10486 Da |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
| SMILES | CCOC(=O)C[C@@H](C[C@@H](C=C)O)O |
| InChIKey | ZYOZFSCMERENNR-HTQZYQBOSA-N |
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 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate. The TPSA of 66.8 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
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 188.10486 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (3R,5S)-3,5-dihydroxyhept-6-enoate?
Yes, CoreyChem 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.