Benzylidenbutenolide
TL;DR: Benzylidenbutenolide (CAS 13327-36-1) is a chemical compound with molecular formula C11H8O2 and molecular weight 172.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylidenefuran-2-one
Also Known As: Benzylidenbutenolide, 5-Benzylidenefuran-2(5H)-one, 5-(Phenylmethylene)-2(5H)-furanone, 2(5H)-Furanone,5-(phenylmethylene)-, 2(5H)-Furanone,5-(phenylmethylene)-, (5Z)-
| Molecular Formula | C11H8O2 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.05243 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 13327-36-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C2C=CC(=O)O2 |
| InChIKey | DMWDECPSZZVGPO-UHFFFAOYSA-N |
Product Overview
Benzylidenbutenolide (CAS 13327-36-1), with molecular formula C11H8O2 and molecular weight 172.05 g/mol. IUPAC: 5-benzylidenefuran-2-one.
Chemical Property Profile of Benzylidenbutenolide
Property Insights of Benzylidenbutenolide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylidenbutenolide. With a topological polar surface area (TPSA) of 26.3 Ų, Benzylidenbutenolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylidenbutenolide 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 Benzylidenbutenolide?
The CAS number of Benzylidenbutenolide is 13327-36-1.
What is the molecular formula of Benzylidenbutenolide?
The molecular formula of Benzylidenbutenolide is C11H8O2.
What is the molecular weight of Benzylidenbutenolide?
The molecular weight of Benzylidenbutenolide is 172.05 g/mol.
Where can I buy Benzylidenbutenolide?
You can request a quote for Benzylidenbutenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylidenbutenolide?
Yes, KEHONG BIO provides custom synthesis services for Benzylidenbutenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.