Hydroxyisopatchoulenone
TL;DR: Hydroxyisopatchoulenone (CAS 63512-80-1) 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.
(4R,5S,8S,8aR)-4-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
Also Known As: Hydroxyisopatchoulenone, J2.249.546A, (4R,5S,8S,8aR)-4-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one, (3aR)-1,4beta-Dimethyl-7beta-isopropenyl-8beta-hydroxy-3abeta,4,5,6,7,8-hexahydroazulene-2(3H)-one, (4R)-4,5,6,7,8,8aalpha-Hexahydro-4alpha-hydroxy-3,8alpha-dimethyl-5alpha-isopropenylazulene-2(1H)-one
| 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 | 1 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 63512-80-1 |
|---|---|
| SMILES | C[C@H]1CC[C@H]([C@H](C2=C(C(=O)C[C@H]12)C)O)C(=C)C |
| InChIKey | MCNAURNYDFSEML-APAOZMKASA-N |
Product Overview
Hydroxyisopatchoulenone (CAS 63512-80-1), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (4R,5S,8S,8aR)-4-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one.
Chemical Property Profile of Hydroxyisopatchoulenone
Property Insights of Hydroxyisopatchoulenone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxyisopatchoulenone. With a topological polar surface area (TPSA) of 37.3 Ų, Hydroxyisopatchoulenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxyisopatchoulenone 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 Hydroxyisopatchoulenone?
The CAS number of Hydroxyisopatchoulenone is 63512-80-1.
What is the molecular formula of Hydroxyisopatchoulenone?
The molecular formula of Hydroxyisopatchoulenone is C15H22O2.
What is the molecular weight of Hydroxyisopatchoulenone?
The molecular weight of Hydroxyisopatchoulenone is 234.16 g/mol.
Where can I buy Hydroxyisopatchoulenone?
You can request a quote for Hydroxyisopatchoulenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxyisopatchoulenone?
Yes, KEHONG BIO provides custom synthesis services for Hydroxyisopatchoulenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.