Methyl 3-hydroxy-2-methylidenepentanoate
TL;DR: Methyl 3-hydroxy-2-methylidenepentanoate (CAS 18052-21-6) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-2-methylidenepentanoate
Also Known As: METHYL 3-HYDROXY-2-METHYLENEPENTANOATE, methyl 3-hydroxy-2-methylidenepentanoate, Methyl 3-hydroxy-2-methylidene-pentanoate, 2-(1-Hydroxypropyl)propenoic acid methyl ester, methyl alpha-methylene-beta-hydroxypentanoate
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 18052-21-6 |
|---|---|
| SMILES | CCC(C(=C)C(=O)OC)O |
| InChIKey | WXZUVXFBEAOGOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-hydroxy-2-methylidenepentanoate (CAS 18052-21-6), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: methyl 3-hydroxy-2-methylidenepentanoate.
Chemical Property Profile of Methyl 3-hydroxy-2-methylidenepentanoate
Property Insights of Methyl 3-hydroxy-2-methylidenepentanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxy-2-methylidenepentanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-hydroxy-2-methylidenepentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-hydroxy-2-methylidenepentanoate 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-hydroxy-2-methylidenepentanoate?
The CAS number of Methyl 3-hydroxy-2-methylidenepentanoate is 18052-21-6.
What is the molecular formula of Methyl 3-hydroxy-2-methylidenepentanoate?
The molecular formula of Methyl 3-hydroxy-2-methylidenepentanoate is C7H12O3.
What is the molecular weight of Methyl 3-hydroxy-2-methylidenepentanoate?
The molecular weight of Methyl 3-hydroxy-2-methylidenepentanoate is 144.08 g/mol.
Where can I buy Methyl 3-hydroxy-2-methylidenepentanoate?
You can request a quote for Methyl 3-hydroxy-2-methylidenepentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-hydroxy-2-methylidenepentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxy-2-methylidenepentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.