Isophorol
TL;DR: Isophorol (CAS 470-99-5) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethylcyclohex-2-en-1-ol
Also Known As: Isophorol, 3,5,5-Trimethyl-2-cyclohexen-1-ol, 3,5,5-Trimethylcyclohex-2-en-1-ol, 2-Cyclohexen-1-ol, 3,5,5-trimethyl-, (+-)-ISOPHOROL
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 470-99-5 |
|---|---|
| SMILES | CC1=CC(CC(C1)(C)C)O |
| InChIKey | LDRWAWZXDDBHTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isophorol (CAS 470-99-5), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 3,5,5-trimethylcyclohex-2-en-1-ol.
Chemical Property Profile of Isophorol
Property Insights of Isophorol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isophorol. With a topological polar surface area (TPSA) of 20.2 Ų, Isophorol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isophorol has 1 hydrogen bond donor(s) and 1 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 Isophorol?
The CAS number of Isophorol is 470-99-5.
What is the molecular formula of Isophorol?
The molecular formula of Isophorol is C9H16O.
What is the molecular weight of Isophorol?
The molecular weight of Isophorol is 140.12 g/mol.
Where can I buy Isophorol?
You can request a quote for Isophorol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isophorol?
Yes, KEHONG BIO provides custom synthesis services for Isophorol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.