Isoclavukerin
TL;DR: Isoclavukerin (CAS 85209-83-2) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,8aR)-3,8-dimethyl-1,2,6,7,8,8a-hexahydroazulene
Also Known As: Isoclavukerin, (+)-Isoclavukerin, 1,4-dimethyl-2,3,3a,4,5,6-hexahydroazule, TRISNORSESQUITERPENE FROM CRESPITULARIA, (8S,8aR)-3,8-dimethyl-1,2,6,7,8,8a-hexahydroazulene
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 85209-83-2 |
|---|---|
| SMILES | C[C@H]1CCC=CC2=C(CC[C@H]12)C |
| InChIKey | WLTLKQLUBPNLAM-JOYOIKCWSA-N |
Product Overview
Isoclavukerin (CAS 85209-83-2), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: (8S,8aR)-3,8-dimethyl-1,2,6,7,8,8a-hexahydroazulene.
Chemical Property Profile of Isoclavukerin
Property Insights of Isoclavukerin
The XLogP value of 3.3 indicates that Isoclavukerin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Isoclavukerin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoclavukerin has 0 hydrogen bond donor(s) and 0 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 Isoclavukerin?
The CAS number of Isoclavukerin is 85209-83-2.
What is the molecular formula of Isoclavukerin?
The molecular formula of Isoclavukerin is C12H18.
What is the molecular weight of Isoclavukerin?
The molecular weight of Isoclavukerin is 162.14 g/mol.
Where can I buy Isoclavukerin?
You can request a quote for Isoclavukerin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoclavukerin?
Yes, KEHONG BIO provides custom synthesis services for Isoclavukerin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.