![2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile structure](/static/products/3740/374090-76-3.webp)
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile
TL;DR: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile (CAS 374090-76-3) is a chemical compound with molecular formula C19H16F6N4S and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-3-pyridinecarbonitrile, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyridine-3-carbonitrile, 2-[2-AMINO-3-CYANO-6-METHYL-4,4-BIS(TRIFLUOROMETHYL)-1(4H)-PYRIDINYL]-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-3-YL CYANIDE
| Molecular Formula | C19H16F6N4S |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 5.41736 |
| Topological Polar Surface Area | 76.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 446.09998 |
| Heavy Atoms | 30 |
| Complexity | 1002.00806 |
Chemical Identifiers
| CAS Number | 374090-76-3 |
|---|---|
| SMILES | CC1=CC(C(=C(N1C2=C(C3=C(S2)CCCCC3)C#N)N)C#N)(C(F)(F)F)C(F)(F)F |
Product Overview
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile (CAS 374090-76-3), with molecular formula C19H16F6N4S and molecular weight 446.10 g/mol. IUPAC: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile
Property Insights of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile
The XLogP value of 5.41736 indicates that 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile?
The CAS number of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile is 374090-76-3.
What is the molecular formula of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile?
The molecular formula of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile is C19H16F6N4S.
What is the molecular weight of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile?
The molecular weight of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile is 446.10 g/mol.
Where can I buy 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile?
You can request a quote for 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-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-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.