Isovellerol
TL;DR: Isovellerol (CAS 96910-70-2) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1aS,3aS,6aS,6bR)-2-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a-carbaldehyde
Also Known As: Isovellerol, Cycloprop(e)indene-1a(1H)-carboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-2-(hydroxymethyl)-5,5,6b-trimethyl-, (1aS-(1a-alpha,3a-beta,6a-beta,6b-alpha))-, (1aS,3aS,6aS,6bR)-2-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a-carbaldehyde, (1aS)-3abeta,4,5,6,6abeta,6b-Hexahydro-2-(hydroxymethyl)-5,5,6balpha-trimethylcycloprop[e]indene-1a(1H)-carbaldehyde, (1AS,3AS,6AS,6BR)-2-(HYDROXYMETHYL)-5,5,6B-TRIMETHYL-1H,1AH,3AH,4H,5H,6H,6AH,6BH-CYCLOPROPA[E]INDENE-1A-CARBALDEHYDE
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 96910-70-2 |
|---|---|
| SMILES | C[C@]12C[C@]1(C(=C[C@H]3[C@@H]2CC(C3)(C)C)CO)C=O |
| InChIKey | MRWQPWOAWYZTBU-DZGBDDFRSA-N |
Product Overview
Isovellerol (CAS 96910-70-2), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (1aS,3aS,6aS,6bR)-2-(hydroxymethyl)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a-carbaldehyde.
Chemical Property Profile of Isovellerol
Property Insights of Isovellerol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isovellerol. With a topological polar surface area (TPSA) of 37.3 Ų, Isovellerol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovellerol has 1 hydrogen bond donor(s) and 2 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 Isovellerol?
The CAS number of Isovellerol is 96910-70-2.
What is the molecular formula of Isovellerol?
The molecular formula of Isovellerol is C15H22O2.
What is the molecular weight of Isovellerol?
The molecular weight of Isovellerol is 234.16 g/mol.
Where can I buy Isovellerol?
You can request a quote for Isovellerol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovellerol?
Yes, KEHONG BIO provides custom synthesis services for Isovellerol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.