2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 126983-89-9) is a chemical compound with molecular formula C14H13N3S and molecular weight 255.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, AE-848/32958032, 2-amino-4-(2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 2-amino-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
| Molecular Formula | C14H13N3S |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.08302 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 126983-89-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=CS3 |
| InChIKey | FTKATHYCSFVXJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 126983-89-9), with molecular formula C14H13N3S and molecular weight 255.08 g/mol. IUPAC: 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 3.3 indicates that 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 4 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 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 126983-89-9.
What is the molecular formula of 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C14H13N3S.
What is the molecular weight of 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 255.08 g/mol.
Where can I buy 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-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-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.