Rupestric acid
TL;DR: Rupestric acid (CAS 6293-07-8) 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.
2-[(3R,5S,8S,8aS)-3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid
Also Known As: Rupestric acid, 2-[(3R,5S,8S,8aS)-3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid, 5-Azuleneacetic acid, 1,2,3,5,6,7,8,8a-octahydro-3,8-dimethyl-alpha-methylene-, (3R-(3alpha,5alpha,8beta,8aalpha))-, 2-(3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl)prop-2-enoic acid, RefChem:180323
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.0 |
| 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 | 367.0 |
Chemical Identifiers
| CAS Number | 6293-07-8 |
|---|---|
| SMILES | C[C@H]1CC[C@@H](C=C2[C@H]1CC[C@H]2C)C(=C)C(=O)O |
| InChIKey | YLHKXUGXGXKMRY-LFSVMHDDSA-N |
Product Overview
Rupestric acid (CAS 6293-07-8), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 2-[(3R,5S,8S,8aS)-3,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid.
Chemical Property Profile of Rupestric acid
Property Insights of Rupestric acid
The XLogP value of 4.0 indicates that Rupestric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Rupestric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rupestric acid 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 Rupestric acid?
The CAS number of Rupestric acid is 6293-07-8.
What is the molecular formula of Rupestric acid?
The molecular formula of Rupestric acid is C15H22O2.
What is the molecular weight of Rupestric acid?
The molecular weight of Rupestric acid is 234.16 g/mol.
Where can I buy Rupestric acid?
You can request a quote for Rupestric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rupestric acid?
Yes, KEHONG BIO provides custom synthesis services for Rupestric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.