4-(1,3-Dithiolan-2-yl)phenyl 2-furoate
TL;DR: 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate (CAS 331461-07-5) is a chemical compound with molecular formula C14H12O3S2 and molecular weight 292.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-dithiolan-2-yl)phenyl] furan-2-carboxylate
Also Known As: 4-(1,3-dithiolan-2-yl)phenyl 2-furoate, 4-(1,3-dithiolan-2-yl)phenyl furan-2-carboxylate, [4-(1,3-dithiolan-2-yl)phenyl] Furan-2-carboxylate, 4-(1,3-dithiolan-2-yl)phenylfuran-2-carboxylate, AA-768/32249048
| Molecular Formula | C14H12O3S2 |
|---|---|
| Molecular Weight | 292.02 g/mol |
| LogP | 3.9774 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0228 |
| Heavy Atoms | 19 |
| Complexity | 542.5799 |
Chemical Identifiers
| CAS Number | 331461-07-5 |
|---|---|
| SMILES | C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=CC=CO3 |
Product Overview
4-(1,3-Dithiolan-2-yl)phenyl 2-furoate (CAS 331461-07-5), with molecular formula C14H12O3S2 and molecular weight 292.02 g/mol. IUPAC: [4-(1,3-dithiolan-2-yl)phenyl] furan-2-carboxylate.
Chemical Property Profile of 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate
Property Insights of 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate
The XLogP value of 3.9774 indicates that 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.44 Ų, 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate has 0 hydrogen bond donor(s) and 5 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 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate?
The CAS number of 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate is 331461-07-5.
What is the molecular formula of 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate?
The molecular formula of 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate is C14H12O3S2.
What is the molecular weight of 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate?
The molecular weight of 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate is 292.02 g/mol.
Where can I buy 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate?
You can request a quote for 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dithiolan-2-yl)phenyl 2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.