6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
TL;DR: 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile (CAS 420824-19-7) is a chemical compound with molecular formula C17H13N5S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
Also Known As: ChemDiv2_000739, BAS 01217997, BIM-0034287.P001, 6-amino-8-(pyridin-3-yl)-8,8a-dihydro-1H-isothiochromene-5,7,7(3H)-tricarbonitrile, 6-amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
| Molecular Formula | C17H13N5S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.23814 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.08917 |
| Heavy Atoms | 23 |
| Complexity | 805.2702 |
Chemical Identifiers
| CAS Number | 420824-19-7 |
|---|---|
| SMILES | C1C=C2C(CS1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3 |
Product Overview
6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile (CAS 420824-19-7), with molecular formula C17H13N5S and molecular weight 319.09 g/mol. IUPAC: 6-amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile.
Chemical Property Profile of 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
Property Insights of 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile
The XLogP value of 2.23814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile. The TPSA of 110.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile. Following Lipinski's Rule of Five, 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile 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
Frequently Asked Questions
What is the CAS number of 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile?
The CAS number of 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile is 420824-19-7.
What is the molecular formula of 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile?
The molecular formula of 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile is C17H13N5S.
What is the molecular weight of 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile?
The molecular weight of 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile is 319.09 g/mol.
Where can I buy 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile?
You can request a quote for 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-8-pyridin-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.