alpha-BENZYLIDENE-gamma-BUTYROLACTONE
TL;DR: alpha-BENZYLIDENE-gamma-BUTYROLACTONE (CAS 30959-91-2) is a chemical compound with molecular formula C11H10O2 and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylideneoxolan-2-one
Also Known As: 3-benzylideneoxolan-2-one, 3-Benzylidene-Dihydro-Furan-2-One, 3-benzylidenedihydrofuran-2(3h)-one, alpha-BENZYLIDENE-gamma-BUTYROLACTONE, (E)-3-Benzylidenedihydrofuran-2(3H)-one
| Molecular Formula | C11H10O2 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.06808 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 30959-91-2 |
|---|---|
| SMILES | C1COC(=O)C1=CC2=CC=CC=C2 |
| InChIKey | TWDMVZSYTMJVEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-BENZYLIDENE-gamma-BUTYROLACTONE (CAS 30959-91-2), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: 3-benzylideneoxolan-2-one.
Chemical Property Profile of alpha-BENZYLIDENE-gamma-BUTYROLACTONE
Property Insights of alpha-BENZYLIDENE-gamma-BUTYROLACTONE
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-BENZYLIDENE-gamma-BUTYROLACTONE. With a topological polar surface area (TPSA) of 26.3 Ų, alpha-BENZYLIDENE-gamma-BUTYROLACTONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-BENZYLIDENE-gamma-BUTYROLACTONE 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 alpha-BENZYLIDENE-gamma-BUTYROLACTONE?
The CAS number of alpha-BENZYLIDENE-gamma-BUTYROLACTONE is 30959-91-2.
What is the molecular formula of alpha-BENZYLIDENE-gamma-BUTYROLACTONE?
The molecular formula of alpha-BENZYLIDENE-gamma-BUTYROLACTONE is C11H10O2.
What is the molecular weight of alpha-BENZYLIDENE-gamma-BUTYROLACTONE?
The molecular weight of alpha-BENZYLIDENE-gamma-BUTYROLACTONE is 174.07 g/mol.
Where can I buy alpha-BENZYLIDENE-gamma-BUTYROLACTONE?
You can request a quote for alpha-BENZYLIDENE-gamma-BUTYROLACTONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-BENZYLIDENE-gamma-BUTYROLACTONE?
Yes, KEHONG BIO provides custom synthesis services for alpha-BENZYLIDENE-gamma-BUTYROLACTONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.