![2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile structure](/static/products/7048/704875-65-0.webp)
2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile
TL;DR: 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile (CAS 704875-65-0) is a chemical compound with molecular formula C21H16N2O4S and molecular weight 392.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carbonitrile
Also Known As: 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile, AM-807/42859893, A3695/0156818, 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carbonitrile
| Molecular Formula | C21H16N2O4S |
|---|---|
| Molecular Weight | 392.08 g/mol |
| LogP | 3.49688 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.08307 |
| Heavy Atoms | 28 |
| Complexity | 1223.2832 |
Chemical Identifiers
| CAS Number | 704875-65-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2C(=C(OC3=C2C(=O)SC4=CC=CC=C43)N)C#N |
Product Overview
2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile (CAS 704875-65-0), with molecular formula C21H16N2O4S and molecular weight 392.08 g/mol. IUPAC: 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carbonitrile.
Chemical Property Profile of 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile
Property Insights of 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile
The XLogP value of 3.49688 indicates that 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile has 1 hydrogen bond donor(s) and 7 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 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile?
The CAS number of 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile is 704875-65-0.
What is the molecular formula of 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile?
The molecular formula of 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile is C21H16N2O4S.
What is the molecular weight of 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile?
The molecular weight of 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile is 392.08 g/mol.
Where can I buy 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile?
You can request a quote for 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.