8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
TL;DR: 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid (CAS 18012-57-2) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,8a-dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
Also Known As: 8,8a-dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid, 8,8a-Dihydroxy-4a-methyldecahydronaphthalene-2-carboxylic acid
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 18012-57-2 |
|---|---|
| SMILES | CC12CCCC(C1(CC(CC2)C(=O)O)O)O |
| InChIKey | WWJUOYQDFLJRQP-UHFFFAOYSA-N |
Product Overview
8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid (CAS 18012-57-2), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: 8,8a-dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid.
Chemical Property Profile of 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
Property Insights of 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid. Following Lipinski's Rule of Five, 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid has 3 hydrogen bond donor(s) and 4 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 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
The CAS number of 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid is 18012-57-2.
What is the molecular formula of 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
The molecular formula of 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid is C12H20O4.
What is the molecular weight of 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
The molecular weight of 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid is 228.14 g/mol.
Where can I buy 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
You can request a quote for 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 8,8a-Dihydroxy-4a-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.