Methyl 3-hydroxyheptanoate
TL;DR: Methyl 3-hydroxyheptanoate (CAS 109053-87-4) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxyheptanoate
Also Known As: Methyl 3-hydroxyheptanoate, Methyl3-Hydroxyheptanoate, starbld0038760, Heptanoic acid, 3-hydroxy-, methyl ester, methyl (3r)-3-hydroxyheptanoate
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 109053-87-4 |
|---|---|
| SMILES | CCCCC(CC(=O)OC)O |
| InChIKey | XSRWENVOBJMPPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-hydroxyheptanoate (CAS 109053-87-4), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: methyl 3-hydroxyheptanoate.
Chemical Property Profile of Methyl 3-hydroxyheptanoate
Property Insights of Methyl 3-hydroxyheptanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxyheptanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-hydroxyheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-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
Frequently Asked Questions
What is the CAS number of Methyl 3-hydroxyheptanoate?
The CAS number of Methyl 3-hydroxyheptanoate is 109053-87-4.
What is the molecular formula of Methyl 3-hydroxyheptanoate?
The molecular formula of Methyl 3-hydroxyheptanoate is C8H16O3.
What is the molecular weight of Methyl 3-hydroxyheptanoate?
The molecular weight of Methyl 3-hydroxyheptanoate is 160.11 g/mol.
Where can I buy Methyl 3-hydroxyheptanoate?
You can request a quote for Methyl 3-hydroxyheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-hydroxyheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxyheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.