5-Benzyl-3-methylideneoxolan-2-one
TL;DR: 5-Benzyl-3-methylideneoxolan-2-one (CAS 77547-07-0) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3-methylideneoxolan-2-one
Also Known As: 5-benzyl-3-methylideneoxolan-2-one, 5-Benzyl-3-methylene-dihydro-furan-, 5-Benzyl-3-methylene-dihydro-furan-2-one, 5-Benzyl-3-methylenedihydrofuran-2(3H)-one, 3-methylidene-5-(phenylmethyl)oxolan-2-one
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 77547-07-0 |
|---|---|
| SMILES | C=C1CC(OC1=O)CC2=CC=CC=C2 |
| InChIKey | XXZZLJOGOSEOLI-UHFFFAOYSA-N |
Product Overview
5-Benzyl-3-methylideneoxolan-2-one (CAS 77547-07-0), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 5-benzyl-3-methylideneoxolan-2-one.
Chemical Property Profile of 5-Benzyl-3-methylideneoxolan-2-one
Property Insights of 5-Benzyl-3-methylideneoxolan-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyl-3-methylideneoxolan-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Benzyl-3-methylideneoxolan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-3-methylideneoxolan-2-one 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 5-Benzyl-3-methylideneoxolan-2-one?
The CAS number of 5-Benzyl-3-methylideneoxolan-2-one is 77547-07-0.
What is the molecular formula of 5-Benzyl-3-methylideneoxolan-2-one?
The molecular formula of 5-Benzyl-3-methylideneoxolan-2-one is C12H12O2.
What is the molecular weight of 5-Benzyl-3-methylideneoxolan-2-one?
The molecular weight of 5-Benzyl-3-methylideneoxolan-2-one is 188.08 g/mol.
Where can I buy 5-Benzyl-3-methylideneoxolan-2-one?
You can request a quote for 5-Benzyl-3-methylideneoxolan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-3-methylideneoxolan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-3-methylideneoxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.