![2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate structure](/static/products/342/342383-79-3.png)
2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate
TL;DR: 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate (CAS 342383-79-3) is a chemical compound with molecular formula C25H15FN2O3S and molecular weight 442.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)phenyl] 4-fluorobenzoate
Also Known As: 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate, AE-848/14137035, [2-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)phenyl] 4-fluorobenzoate, 2-(2-amino-3-cyano-4H-benzo[4,5]thieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate
| Molecular Formula | C25H15FN2O3S |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 5.47778 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.07874 |
| Heavy Atoms | 32 |
| Complexity | 1433.8518 |
Chemical Identifiers
| CAS Number | 342383-79-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N)OC(=O)C5=CC=C(C=C5)F |
Product Overview
2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate (CAS 342383-79-3), with molecular formula C25H15FN2O3S and molecular weight 442.08 g/mol. IUPAC: [2-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)phenyl] 4-fluorobenzoate.
Chemical Property Profile of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate
Property Insights of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate
The XLogP value of 5.47778 indicates that 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate. Following Lipinski's Rule of Five, 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate?
The CAS number of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate is 342383-79-3.
What is the molecular formula of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate?
The molecular formula of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate is C25H15FN2O3S.
What is the molecular weight of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate?
The molecular weight of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate is 442.08 g/mol.
Where can I buy 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate?
You can request a quote for 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.