愈创醇
TL;DR: 愈创醇 (CAS 5445-33-0) is a chemical compound with molecular formula C15H26O and molecular weight 222.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
愈创醇
2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol
Also Known As: Guaiol, Champacol, (-)-Guaiol, Guaiac alcohol, Champaca camphor
| Molecular Formula | C15H26O |
|---|---|
| Molecular Weight | 222.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.19836 |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 5445-33-0 |
|---|---|
| SMILES | C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)O |
| InChIKey | TWVJWDMOZJXUID-SDDRHHMPSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
愈创醇 (CAS 5445-33-0), with molecular formula C15H26O and molecular weight 222.20 g/mol. IUPAC: 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol.
Chemical Property Profile of 愈创醇
Property Insights of 愈创醇
The XLogP value of 3.1 indicates that 愈创醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 愈创醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 愈创醇 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 愈创醇?
The CAS number of 愈创醇 is 5445-33-0.
What is the molecular formula of 愈创醇?
The molecular formula of 愈创醇 is C15H26O.
What is the molecular weight of 愈创醇?
The molecular weight of 愈创醇 is 222.20 g/mol.
Where can I buy 愈创醇?
You can request a quote for 愈创醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 愈创醇?
Yes, KEHONG BIO provides custom synthesis services for 愈创醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.