Methyl 2-hydroxyheptanoate
TL;DR: Methyl 2-hydroxyheptanoate (CAS 97211-28-4) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-hydroxyheptanoate
Also Known As: Methyl 2-hydroxyheptanoate, methyl2-hydroxyheptanoate, 2-Hydroxyheptanoic acid methyl ester, Heptanoic acid, 2-hydroxy-, methyl ester, Methyl (S)-2-Hydroxyheptanoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.10994 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.10994 Da |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
| SMILES | CCCCCC(C(=O)OC)O |
| InChIKey | ZKBFAXBOTWDLBL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-hydroxyheptanoate
Property Insights of Methyl 2-hydroxyheptanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxyheptanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 2-hydroxyheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hydroxyheptanoate 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
What is the CAS number of Methyl 2-hydroxyheptanoate?
The CAS number of Methyl 2-hydroxyheptanoate is 97211-28-4.
What is the molecular formula of Methyl 2-hydroxyheptanoate?
The molecular formula of Methyl 2-hydroxyheptanoate is C8H16O3.
What is the molecular weight of Methyl 2-hydroxyheptanoate?
The molecular weight of Methyl 2-hydroxyheptanoate is 160.10994 g/mol.
Where can I buy Methyl 2-hydroxyheptanoate?
You can request a quote for Methyl 2-hydroxyheptanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-hydroxyheptanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-hydroxyheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.