beta-Methyl-delta-valerolactone
TL;DR: beta-Methyl-delta-valerolactone (CAS 1121-84-2) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyloxan-2-one
Also Known As: 4-Methyltetrahydro-2H-pyran-2-one, 4-methyloxan-2-one, Tetrahydro-4-methyl-2H-pyran-2-one, beta-Methyl-delta-valerolactone, 3-Methyl-5-pentanolide
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 1121-84-2 |
|---|---|
| SMILES | CC1CCOC(=O)C1 |
| InChIKey | YHTLGFCVBKENTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Methyl-delta-valerolactone (CAS 1121-84-2), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 4-methyloxan-2-one.
Chemical Property Profile of beta-Methyl-delta-valerolactone
Property Insights of beta-Methyl-delta-valerolactone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Methyl-delta-valerolactone. With a topological polar surface area (TPSA) of 26.3 Ų, beta-Methyl-delta-valerolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Methyl-delta-valerolactone has 0 hydrogen bond donor(s) and 2 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 beta-Methyl-delta-valerolactone?
The CAS number of beta-Methyl-delta-valerolactone is 1121-84-2.
What is the molecular formula of beta-Methyl-delta-valerolactone?
The molecular formula of beta-Methyl-delta-valerolactone is C6H10O2.
What is the molecular weight of beta-Methyl-delta-valerolactone?
The molecular weight of beta-Methyl-delta-valerolactone is 114.07 g/mol.
Where can I buy beta-Methyl-delta-valerolactone?
You can request a quote for beta-Methyl-delta-valerolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Methyl-delta-valerolactone?
Yes, KEHONG BIO provides custom synthesis services for beta-Methyl-delta-valerolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.