Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one
TL;DR: Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one (CAS 52398-48-8) 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.
5-(hydroxymethyl)-4,4-dimethyloxolan-2-one
Also Known As: EINECS 279-029-8, 5-(hydroxymethyl)-4,4-dimethyloxolan-2-one, Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one, dihydro-5- -4,4-dimethylfuran-2 -one, 5-methoxy-4,4-dimethyl-dihydro-furan-2-one
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.3204 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 150.9302 |
Chemical Identifiers
| CAS Number | 52398-48-8 |
|---|---|
| SMILES | CC1(CC(=O)OC1CO)C |
Product Overview
Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one (CAS 52398-48-8), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 5-(hydroxymethyl)-4,4-dimethyloxolan-2-one.
Chemical Property Profile of Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one
Property Insights of Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one
The XLogP value of 0.3204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one. With a topological polar surface area (TPSA) of 46.53 Ų, Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one 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 Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one?
The CAS number of Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one is 52398-48-8.
What is the molecular formula of Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one?
The molecular formula of Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one is C7H12O3.
What is the molecular weight of Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one?
The molecular weight of Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one is 144.08 g/mol.
Where can I buy Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one?
You can request a quote for Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for Dihydro-5-(hydroxymethyl)-4,4-dimethylfuran-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.