ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
TL;DR: ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate (CAS 347378-70-5) is a chemical compound with molecular formula C16H26O6 and molecular weight 314.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
Also Known As: Ethyl 5-acetyloxy-4-hydroxy-3-pentan-3-yloxy-cyclohexene-1-carboxylate, (3S,4S,5R)-Ethyl 5-Acetoxy-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate, Ethyl (3S,4S,5R)-5-acetoxy-4-hydroxy-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylate, Rel-ethyl (3S,4S,5R)-5-acetoxy-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
| Molecular Formula | C16H26O6 |
|---|---|
| Molecular Weight | 314.17 g/mol |
| LogP | 1.746 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.17294 |
| Heavy Atoms | 22 |
| Complexity | 412.8591 |
Chemical Identifiers
| CAS Number | 347378-70-5 |
|---|---|
| SMILES | CCC(CC)O[C@H]1C=C(C[C@H]([C@@H]1O)OC(=O)C)C(=O)OCC |
Product Overview
ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate (CAS 347378-70-5), with molecular formula C16H26O6 and molecular weight 314.17 g/mol. IUPAC: ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate.
Chemical Property Profile of ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
Property Insights of ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
The XLogP value of 1.746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate. Following Lipinski's Rule of Five, ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate has 1 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 ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate?
The CAS number of ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate is 347378-70-5.
What is the molecular formula of ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate?
The molecular formula of ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate is C16H26O6.
What is the molecular weight of ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate?
The molecular weight of ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate is 314.17 g/mol.
Where can I buy ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate?
You can request a quote for ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3S,4S,5R)-5-acetyloxy-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.