Marinoic acid
TL;DR: Marinoic acid (CAS 167172-84-1) is a chemical compound with molecular formula C24H30O7 and molecular weight 430.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-1',9a-dimethyl-1-oxo-5'-(2-oxopyran-4-yl)spiro[4,5,5a,6,7,8,9,9b-octahydro-3aH-benzo[e][2]benzofuran-3,2'-cyclopentane]-1'-carboxylic acid
Also Known As: Marinoic acid, 7-hydroxy-1',9a-dimethyl-1-oxo-5'-(2-oxopyran-4-yl)spiro[4,5,5a,6,7,8,9,9b-octahydro-3aH-benzo[e][2]benzofuran-3,2'-cyclopentane]-1'-carboxylic acid, 3beta-hydroxy-11,12-seco-5beta,14beta-bufa-20,22-dienolide-11,14-olide-12-oic acid, 7'-Hydroxy-2,9'a-dimethyl-1'-oxo-3-(2-oxo-2H-pyran-4-yl)decahydro-1'H-spiro[cyclopentane-1,3'-naphtho[1,2-c]furan]-2-carboxylic acid, Spiro(cyclopentane-1,3'(1'H)-naphtho(1,2-c)furan)-2-carboxylic acid, decahydro-7'-hydroxy-2,9'a-dimethyl-1'-oxo-3-(2-oxo-2H-pyran-4-yl)-
| Molecular Formula | C24H30O7 |
|---|---|
| Molecular Weight | 430.20 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 430.19916 |
| Heavy Atoms | 31 |
| Complexity | 906.0 |
Chemical Identifiers
| CAS Number | 167172-84-1 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2C(=O)OC34CCC(C4(C)C(=O)O)C5=CC(=O)OC=C5)O |
| InChIKey | PIHCEVPSPPWILX-UHFFFAOYSA-N |
Product Overview
Marinoic acid (CAS 167172-84-1), with molecular formula C24H30O7 and molecular weight 430.20 g/mol. IUPAC: 7-hydroxy-1',9a-dimethyl-1-oxo-5'-(2-oxopyran-4-yl)spiro[4,5,5a,6,7,8,9,9b-octahydro-3aH-benzo[e][2]benzofuran-3,2'-cyclopentane]-1'-carboxylic acid.
Chemical Property Profile of Marinoic acid
Property Insights of Marinoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Marinoic acid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Marinoic acid. Following Lipinski's Rule of Five, Marinoic acid has 2 hydrogen bond donor(s) and 7 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 Marinoic acid?
The CAS number of Marinoic acid is 167172-84-1.
What is the molecular formula of Marinoic acid?
The molecular formula of Marinoic acid is C24H30O7.
What is the molecular weight of Marinoic acid?
The molecular weight of Marinoic acid is 430.20 g/mol.
Where can I buy Marinoic acid?
You can request a quote for Marinoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Marinoic acid?
Yes, KEHONG BIO provides custom synthesis services for Marinoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.