![2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate structure](/static/products/461/461439-22-5.png)
2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate
TL;DR: 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate (CAS 461439-22-5) is a chemical compound with molecular formula C25H15ClN2O3S and molecular weight 458.05 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] 3-chlorobenzoate
Also Known As: 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate, [2-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)phenyl] 3-chlorobenzoate, 2-(2-amino-3-cyano-4H-benzo[4,5]thieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate
| Molecular Formula | C25H15ClN2O3S |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 5.99208 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.0492 |
| Heavy Atoms | 32 |
| Complexity | 1451.1018 |
Chemical Identifiers
| CAS Number | 461439-22-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N)OC(=O)C5=CC(=CC=C5)Cl |
Product Overview
2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate (CAS 461439-22-5), with molecular formula C25H15ClN2O3S and molecular weight 458.05 g/mol. IUPAC: [2-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)phenyl] 3-chlorobenzoate.
Chemical Property Profile of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate
Property Insights of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate
The XLogP value of 5.99208 indicates that 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate 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 3-chlorobenzoate. Following Lipinski's Rule of Five, 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate 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 3-chlorobenzoate?
The CAS number of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate is 461439-22-5.
What is the molecular formula of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate?
The molecular formula of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate is C25H15ClN2O3S.
What is the molecular weight of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate?
The molecular weight of 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate is 458.05 g/mol.
Where can I buy 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate?
You can request a quote for 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate 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 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-amino-3-cyano-4H-[1]benzothieno[3,2-b]pyran-4-yl)phenyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.