Subergorgic acid
TL;DR: Subergorgic acid (CAS 97718-45-1) 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.
Subergorgic acid
(2R,5S,8S)-2,5,9-trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylic acid
Also Known As: Subergorgic acid, (3aS,5aS,8R)-3,5a,8-trimethyl-1-oxo-2,3,3a,4,5,8-hexahydrocyclopenta[h]pentalene-7-carboxylic acid
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 97718-45-1 |
|---|---|
| SMILES | C[C@H]1C(=C[C@]2(C13[C@@H](CC2)C(CC3=O)C)C)C(=O)O |
| InChIKey | LFKSRWRSZVCLFJ-JEJFSMNRSA-N |
Product Overview
Subergorgic acid (CAS 97718-45-1), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (2R,5S,8S)-2,5,9-trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylic acid.
Chemical Property Profile of Subergorgic acid
Property Insights of Subergorgic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Subergorgic acid. With a topological polar surface area (TPSA) of 54.4 Ų, Subergorgic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Subergorgic acid has 1 hydrogen bond donor(s) and 3 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 Subergorgic acid?
The CAS number of Subergorgic acid is 97718-45-1.
What is the molecular formula of Subergorgic acid?
The molecular formula of Subergorgic acid is C15H20O3.
What is the molecular weight of Subergorgic acid?
The molecular weight of Subergorgic acid is 248.14 g/mol.
Where can I buy Subergorgic acid?
You can request a quote for Subergorgic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Subergorgic acid?
Yes, KEHONG BIO provides custom synthesis services for Subergorgic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.