4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide
TL;DR: 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide (CAS 135521-76-5) is a chemical compound with molecular formula C20H16N2O4S and molecular weight 380.08307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4,4-dioxo-8-oxa-4λ6-thia-11,12-diazatetracyclo[8.8.0.02,7.013,18]octadeca-1,5,9,13(18),14,16-hexaen-15-yl)phenol
Also Known As: 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide, 1-Amino-4-(4-methoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile-6-sulfone, 10-(4-Hydroxyphenyl)-7,8-dihydro-1H-2lambda~6~-thiopyrano[3',4':5,6]pyrano[3,4-c]cinnoline-2,2(4aH)-dione, BRN 4274480
Technical Specifications
| Molecular Formula | C20H16N2O4S |
| Molecular Weight | 380.08307 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 96.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 380.08307 Da |
| Heavy Atoms | 27 |
| Complexity | 802.0 |
| SMILES | C1C2=C3C4=C(C=C(C=C4)C5=CC=C(C=C5)O)NNC3=COC2C=CS1(=O)=O |
| InChIKey | RRWXRQGUWDNKAQ-UHFFFAOYSA-N |
Chemical Property Profile of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide
Property Insights of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide. Following Lipinski's Rule of Five, 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide has 3 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 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide?
The CAS number of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide is 135521-76-5.
What is the molecular formula of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide?
The molecular formula of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide is C20H16N2O4S.
What is the molecular weight of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide?
The molecular weight of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide is 380.08307 g/mol.
Where can I buy 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide?
You can request a quote for 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide?
Yes, CoreyChem provides custom synthesis services for 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.