土环酸A
TL;DR: 土环酸A (CAS 83058-94-0) 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.
土环酸A
(1S,5R,6R,9R)-10,10-dimethyl-2-methylidene-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
Also Known As: Terrecyclic acid A, KST-1A8701, (3as,4r,7r,7ar)-9,9-dimethyl-3-methylidene-2-oxooctahydro-3a,7-ethanoindene-4-carboxylic acid, 9,9-Dimethyl-3-methylidene-2-oxooctahydro-3a,7-ethanoindene-4-carboxylic acid
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.6 |
| 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 | 462.0 |
Chemical Identifiers
| CAS Number | 83058-94-0 |
|---|---|
| SMILES | CC1(C[C@H]2CC[C@H]([C@@]13[C@@H]2CC(=O)C3=C)C(=O)O)C |
| InChIKey | NFDGWNUTVNONNC-RSQPEXBXSA-N |
Product Overview
土环酸A (CAS 83058-94-0), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: (1S,5R,6R,9R)-10,10-dimethyl-2-methylidene-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid.
Chemical Property Profile of 土环酸A
Property Insights of 土环酸A
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 土环酸A. With a topological polar surface area (TPSA) of 54.4 Ų, 土环酸A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 土环酸A 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 土环酸A?
The CAS number of 土环酸A is 83058-94-0.
What is the molecular formula of 土环酸A?
The molecular formula of 土环酸A is C15H20O3.
What is the molecular weight of 土环酸A?
The molecular weight of 土环酸A is 248.14 g/mol.
Where can I buy 土环酸A?
You can request a quote for 土环酸A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 土环酸A?
Yes, KEHONG BIO provides custom synthesis services for 土环酸A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.