3-Ethyl-2-hydroxyheptanoic acid
TL;DR: 3-Ethyl-2-hydroxyheptanoic acid (CAS 63834-30-0) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-2-hydroxyheptanoic acid
Also Known As: 3-Ethyl-2-hydroxyheptanoic acid, 2-Hydroxy-3-ethylheptanoic acid, Kyselina 2-hydroxy-3-ethylheptanova, HEPTANOIC ACID, 3-ETHYL-2-HYDROXY-, Kyselina 2-hydroxy-3-ethylheptanova [Czech]
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O3 |
| Molecular Weight | 174.1256 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.1256 Da |
| Heavy Atoms | 12 |
| Complexity | 134.0 |
| SMILES | CCCCC(CC)C(C(=O)O)O |
| InChIKey | DJDGGSPGQFGVMX-UHFFFAOYSA-N |
Chemical Property Profile of 3-Ethyl-2-hydroxyheptanoic acid
Property Insights of 3-Ethyl-2-hydroxyheptanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2-hydroxyheptanoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Ethyl-2-hydroxyheptanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-hydroxyheptanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Ethyl-2-hydroxyheptanoic acid?
The CAS number of 3-Ethyl-2-hydroxyheptanoic acid is 63834-30-0.
What is the molecular formula of 3-Ethyl-2-hydroxyheptanoic acid?
The molecular formula of 3-Ethyl-2-hydroxyheptanoic acid is C9H18O3.
What is the molecular weight of 3-Ethyl-2-hydroxyheptanoic acid?
The molecular weight of 3-Ethyl-2-hydroxyheptanoic acid is 174.1256 g/mol.
Where can I buy 3-Ethyl-2-hydroxyheptanoic acid?
You can request a quote for 3-Ethyl-2-hydroxyheptanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethyl-2-hydroxyheptanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Ethyl-2-hydroxyheptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.