Benfuresate
TL;DR: Benfuresate (CAS 68505-69-1) is a chemical compound with molecular formula C12H16O4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-2H-1-benzofuran-5-yl) ethanesulfonate
Also Known As: Benfuresate, Cyperal, Benfuresate [ISO], Moriene, Zerbex
| Molecular Formula | C12H16O4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.0851 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.07693 |
| Heavy Atoms | 17 |
| Complexity | 531.43665 |
Chemical Identifiers
| CAS Number | 68505-69-1 |
|---|---|
| SMILES | CCS(=O)(=O)OC1=CC2=C(C=C1)OCC2(C)C |
Product Overview
Benfuresate (CAS 68505-69-1), with molecular formula C12H16O4S and molecular weight 256.08 g/mol. IUPAC: (3,3-dimethyl-2H-1-benzofuran-5-yl) ethanesulfonate.
Chemical Property Profile of Benfuresate
Property Insights of Benfuresate
The XLogP value of 2.0851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benfuresate. With a topological polar surface area (TPSA) of 52.6 Ų, Benfuresate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benfuresate has 0 hydrogen bond donor(s) and 4 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 Benfuresate?
The CAS number of Benfuresate is 68505-69-1.
What is the molecular formula of Benfuresate?
The molecular formula of Benfuresate is C12H16O4S.
What is the molecular weight of Benfuresate?
The molecular weight of Benfuresate is 256.08 g/mol.
Where can I buy Benfuresate?
You can request a quote for Benfuresate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benfuresate?
Yes, KEHONG BIO provides custom synthesis services for Benfuresate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.