Rupestonic acid
TL;DR: Rupestonic acid (CAS 1154736-07-8) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Rupestonic acid
2-[(5S,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid
Also Known As: Rupestonic acid, 1-(1H-imidazol-2-yl)ethanamine, 2-[(5S,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid, 5-Azuleneacetic acid, 1,2,4,5,6,7,8,8a-octahydro-3,8-dimethyl-alpha-methylene-2-oxo-, (5S-(5alpha,8beta,8aalpha))-, 2-[(5S,8S,8aS)-3,8-Dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.9689 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 444.65506 |
Chemical Identifiers
| CAS Number | 1154736-07-8 |
|---|---|
| SMILES | C[C@H]1CC[C@@H](CC2=C(C(=O)C[C@@H]12)C)C(=C)C(=O)O |
Product Overview
Rupestonic acid (CAS 1154736-07-8), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 2-[(5S,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid.
Chemical Property Profile of Rupestonic acid
Property Insights of Rupestonic acid
The XLogP value of 2.9689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rupestonic acid. With a topological polar surface area (TPSA) of 54.37 Ų, Rupestonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rupestonic 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 Rupestonic acid?
The CAS number of Rupestonic acid is 1154736-07-8.
What is the molecular formula of Rupestonic acid?
The molecular formula of Rupestonic acid is C15H20O3.
What is the molecular weight of Rupestonic acid?
The molecular weight of Rupestonic acid is 248.14 g/mol.
Where can I buy Rupestonic acid?
You can request a quote for Rupestonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rupestonic acid?
Yes, KEHONG BIO provides custom synthesis services for Rupestonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.