5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one
TL;DR: 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one (CAS 5463-35-4) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5R,6S)-5-hydroxy-3-(1-hydroxy-3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
Also Known As: Panepoxydone, Antibiotic SL-3042, KST-1A5908, KST-1A5909, (1s,5r,6s)-5-hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 5463-35-4 |
|---|---|
| SMILES | CC(=CC(C1=C[C@H]([C@H]2[C@@H](C1=O)O2)O)O)C |
| InChIKey | MBXKEYXHJAZKBP-VQZXEUHYSA-N |
Product Overview
5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one (CAS 5463-35-4), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: (1S,5R,6S)-5-hydroxy-3-(1-hydroxy-3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one.
Chemical Property Profile of 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one
Property Insights of 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one. Following Lipinski's Rule of Five, 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one 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 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one?
The CAS number of 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one is 5463-35-4.
What is the molecular formula of 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one?
The molecular formula of 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one is C11H14O4.
What is the molecular weight of 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one?
The molecular weight of 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one is 210.09 g/mol.
Where can I buy 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one?
You can request a quote for 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-3-(1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.