Aciphyllic acid
TL;DR: Aciphyllic acid (CAS 57110-46-0) 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.
Aciphyllic acid
2-[(5S,8S,8aS)-3,8-dimethyl-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid
Also Known As: Aciphyllic acid, 2-[(5S,8S,8aS)-3,8-dimethyl-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid, 2-((5S,8S,8aS)-3,8-dimethyl-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl)prop-2-enoic acid, (5S)-3,8alpha-Dimethyl-alpha-methylene-1,2,4,5,6,7,8,8abeta-octahydro-5-azuleneacetic acid, 5-Azuleneacetic acid, 1,2,4,5,6,7,8,8a-octahydro-3,8-dimethyl-alpha-methylene-, (5S-(5alpha,8beta,8aalpha))-
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.3 |
| 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 | 378.0 |
Chemical Identifiers
| CAS Number | 57110-46-0 |
|---|---|
| SMILES | C[C@H]1CC[C@@H](CC2=C(CC[C@@H]12)C)C(=C)C(=O)O |
| InChIKey | HEIJYTOSZVGQPT-XDTLVQLUSA-N |
Product Overview
Aciphyllic acid (CAS 57110-46-0), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 2-[(5S,8S,8aS)-3,8-dimethyl-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid.
Chemical Property Profile of Aciphyllic acid
Property Insights of Aciphyllic acid
The XLogP value of 3.3 indicates that Aciphyllic 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, Aciphyllic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aciphyllic 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 Aciphyllic acid?
The CAS number of Aciphyllic acid is 57110-46-0.
What is the molecular formula of Aciphyllic acid?
The molecular formula of Aciphyllic acid is C15H22O2.
What is the molecular weight of Aciphyllic acid?
The molecular weight of Aciphyllic acid is 234.16 g/mol.
Where can I buy Aciphyllic acid?
You can request a quote for Aciphyllic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aciphyllic acid?
Yes, KEHONG BIO provides custom synthesis services for Aciphyllic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.