![2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile structure](/static/products/3122/312266-40-3.webp)
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
TL;DR: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 312266-40-3) is a chemical compound with molecular formula C28H28N4OS and molecular weight 468.20 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)-4-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1687/0072041, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-AMINO-1-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA(B)THIEN-2-YL)-4-(4-E THYLPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
| Molecular Formula | C28H28N4OS |
|---|---|
| Molecular Weight | 468.20 g/mol |
| LogP | 5.75586 |
| Topological Polar Surface Area | 93.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.1984 |
| Heavy Atoms | 34 |
| Complexity | 1299.5966 |
Chemical Identifiers
| CAS Number | 312266-40-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCC5)C#N)N)C#N |
Product Overview
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 312266-40-3), with molecular formula C28H28N4OS and molecular weight 468.20 g/mol. IUPAC: 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Property Insights of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
The XLogP value of 5.75586 indicates that 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.91 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]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile has 1 hydrogen bond donor(s) and 6 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]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The CAS number of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 312266-40-3.
What is the molecular formula of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular formula of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is C28H28N4OS.
What is the molecular weight of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular weight of 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 468.20 g/mol.
Where can I buy 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
You can request a quote for 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 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]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-ethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.