1-Oxooctahydro-1h-isochromene-5-carboxylic acid
TL;DR: 1-Oxooctahydro-1h-isochromene-5-carboxylic acid (CAS 7145-41-7) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-3,4,4a,5,6,7,8,8a-octahydroisochromene-5-carboxylic acid
Also Known As: 1-oxooctahydro-1h-isochromene-5-carboxylic acid, 1-Oxooctahydro-1H-2-benzopyran-5-carboxylic acid, 1H-2-Benzopyran-5-carboxylicacid,octahydro-1-oxo, 1-oxo-3,4,4a,5,6,7,8,8a-octahydroisochromene-5-carboxylic acid, 1H-2-Benzopyran-5-carboxylicacid, octahydro-1-oxo-
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 7145-41-7 |
|---|---|
| SMILES | C1CC2C(CCOC2=O)C(C1)C(=O)O |
| InChIKey | POEHYBNLIKEJOJ-UHFFFAOYSA-N |
Product Overview
1-Oxooctahydro-1h-isochromene-5-carboxylic acid (CAS 7145-41-7), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: 1-oxo-3,4,4a,5,6,7,8,8a-octahydroisochromene-5-carboxylic acid.
Chemical Property Profile of 1-Oxooctahydro-1h-isochromene-5-carboxylic acid
Property Insights of 1-Oxooctahydro-1h-isochromene-5-carboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxooctahydro-1h-isochromene-5-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oxooctahydro-1h-isochromene-5-carboxylic acid. Following Lipinski's Rule of Five, 1-Oxooctahydro-1h-isochromene-5-carboxylic acid has 1 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 1-Oxooctahydro-1h-isochromene-5-carboxylic acid?
The CAS number of 1-Oxooctahydro-1h-isochromene-5-carboxylic acid is 7145-41-7.
What is the molecular formula of 1-Oxooctahydro-1h-isochromene-5-carboxylic acid?
The molecular formula of 1-Oxooctahydro-1h-isochromene-5-carboxylic acid is C10H14O4.
What is the molecular weight of 1-Oxooctahydro-1h-isochromene-5-carboxylic acid?
The molecular weight of 1-Oxooctahydro-1h-isochromene-5-carboxylic acid is 198.09 g/mol.
Where can I buy 1-Oxooctahydro-1h-isochromene-5-carboxylic acid?
You can request a quote for 1-Oxooctahydro-1h-isochromene-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxooctahydro-1h-isochromene-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxooctahydro-1h-isochromene-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.