Vellerol
TL;DR: Vellerol (CAS 96910-72-4) 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.
(3aR,4R,8aR)-7-(hydroxymethyl)-2,2,4-trimethyl-3,3a,4,8a-tetrahydro-1H-azulene-6-carbaldehyde
Also Known As: Vellerol, (3aR,4R,8aR)-7-(hydroxymethyl)-2,2,4-trimethyl-3,3a,4,8a-tetrahydro-1H-azulene-6-carbaldehyde, (3aR,4R,8aR)-7-(hydroxymethyl)-2,2,4-trimethyl-1,2,3,3a,4,8a-hexahydroazulene-6-carbaldehyde, 6-Azulenecarboxaldehyde, 1,2,3,3a,4,8a-hexahydro-7-(hydroxymethyl)-2,2,4-trimethyl-, (3aR-(3aalpha,4alpha,8aalpha))-, (3aR)-1,2,3,3abeta,4,8abeta-Hexahydro-2,2,4beta-trimethyl-7-(hydroxymethyl)-6-azulenecarbaldehyde
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 2.4 |
| 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 | 376.0 |
Chemical Identifiers
| CAS Number | 96910-72-4 |
|---|---|
| SMILES | C[C@H]1C=C(C(=C[C@H]2[C@@H]1CC(C2)(C)C)CO)C=O |
| InChIKey | VLSLDDINWGVCNM-MISXGVKJSA-N |
Product Overview
Vellerol (CAS 96910-72-4), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (3aR,4R,8aR)-7-(hydroxymethyl)-2,2,4-trimethyl-3,3a,4,8a-tetrahydro-1H-azulene-6-carbaldehyde.
Chemical Property Profile of Vellerol
Property Insights of Vellerol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vellerol. With a topological polar surface area (TPSA) of 37.3 Ų, Vellerol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vellerol 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 Vellerol?
The CAS number of Vellerol is 96910-72-4.
What is the molecular formula of Vellerol?
The molecular formula of Vellerol is C15H22O2.
What is the molecular weight of Vellerol?
The molecular weight of Vellerol is 234.16 g/mol.
Where can I buy Vellerol?
You can request a quote for Vellerol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vellerol?
Yes, KEHONG BIO provides custom synthesis services for Vellerol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.