(1S)-(+)-Ketopinic acid
TL;DR: (1S)-(+)-Ketopinic acid (CAS 464-78-8) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
Also Known As: (S)-(+)-Ketopinic Acid, (1s,4r)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid, (+)-ketopinic acid, (1S)-(+)-Ketopinic acid, (S)-ketopinic acid
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 464-78-8 |
|---|---|
| SMILES | CC1([C@@H]2CC[C@]1(C(=O)C2)C(=O)O)C |
| InChIKey | WDODWBQJVMBHCO-LDWIPMOCSA-N |
Product Overview
(1S)-(+)-Ketopinic acid (CAS 464-78-8), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid.
Chemical Property Profile of (1S)-(+)-Ketopinic acid
Property Insights of (1S)-(+)-Ketopinic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S)-(+)-Ketopinic acid. With a topological polar surface area (TPSA) of 54.4 Ų, (1S)-(+)-Ketopinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S)-(+)-Ketopinic 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 (1S)-(+)-Ketopinic acid?
The CAS number of (1S)-(+)-Ketopinic acid is 464-78-8.
What is the molecular formula of (1S)-(+)-Ketopinic acid?
The molecular formula of (1S)-(+)-Ketopinic acid is C10H14O3.
What is the molecular weight of (1S)-(+)-Ketopinic acid?
The molecular weight of (1S)-(+)-Ketopinic acid is 182.09 g/mol.
Where can I buy (1S)-(+)-Ketopinic acid?
You can request a quote for (1S)-(+)-Ketopinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S)-(+)-Ketopinic acid?
Yes, KEHONG BIO provides custom synthesis services for (1S)-(+)-Ketopinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.