Methyl 4-(5-oxooxolan-2-yl)butanoate
TL;DR: Methyl 4-(5-oxooxolan-2-yl)butanoate (CAS 100145-24-2) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(5-oxooxolan-2-yl)butanoate
Also Known As: methyl 4-(5-oxooxolan-2-yl)butanoate, 4-(3-Methoxycarbonylpropyl)-4-butanolide, Methyl 4-(5-oxotetrahydro-2-furanyl)butanoate, Methyl 4-(5-oxotetrahydro-2-furanyl)butanoate #, Octanedioic acid, 4-hydroxy-, I(3)-lactone, methyl ester
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 100145-24-2 |
|---|---|
| SMILES | COC(=O)CCCC1CCC(=O)O1 |
| InChIKey | MBOGXRAYHHBKBM-UHFFFAOYSA-N |
Product Overview
Methyl 4-(5-oxooxolan-2-yl)butanoate (CAS 100145-24-2), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: methyl 4-(5-oxooxolan-2-yl)butanoate.
Chemical Property Profile of Methyl 4-(5-oxooxolan-2-yl)butanoate
Property Insights of Methyl 4-(5-oxooxolan-2-yl)butanoate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(5-oxooxolan-2-yl)butanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 4-(5-oxooxolan-2-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(5-oxooxolan-2-yl)butanoate has 0 hydrogen bond donor(s) and 4 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 4-(5-oxooxolan-2-yl)butanoate?
The CAS number of Methyl 4-(5-oxooxolan-2-yl)butanoate is 100145-24-2.
What is the molecular formula of Methyl 4-(5-oxooxolan-2-yl)butanoate?
The molecular formula of Methyl 4-(5-oxooxolan-2-yl)butanoate is C9H14O4.
What is the molecular weight of Methyl 4-(5-oxooxolan-2-yl)butanoate?
The molecular weight of Methyl 4-(5-oxooxolan-2-yl)butanoate is 186.09 g/mol.
Where can I buy Methyl 4-(5-oxooxolan-2-yl)butanoate?
You can request a quote for Methyl 4-(5-oxooxolan-2-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(5-oxooxolan-2-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(5-oxooxolan-2-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.