2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile
TL;DR: 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile (CAS 115091-78-6) is a chemical compound with molecular formula C21H18N2O3S and molecular weight 378.10382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(3,4-dimethoxyphenyl)-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile
Also Known As: 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile, 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(3,4-dimethoxyphenyl)-, 2-amino-4-(3,4-dimethoxyphenyl)-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile, 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile, 2-AMINO-4-(3,4-DIMETHOXYPHENYL)-4H,5H-THIOCHROMENO[4,3-B]PYRAN-3-CARBONITRILE
Technical Specifications
| Molecular Formula | C21H18N2O3S |
| Molecular Weight | 378.10382 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.10382 Da |
| Heavy Atoms | 27 |
| Complexity | 695.0 |
| SMILES | COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4SC3)OC(=C2C#N)N)OC |
| InChIKey | YHUYNVRNEJNTLL-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile
Property Insights of 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile
The XLogP value of 3.4 indicates that 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile?
The CAS number of 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile is 115091-78-6.
What is the molecular formula of 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile?
The molecular formula of 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile is C21H18N2O3S.
What is the molecular weight of 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile?
The molecular weight of 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile is 378.10382 g/mol.
Where can I buy 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile?
You can request a quote for 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.