A1292/0058790
TL;DR: A1292/0058790 (CAS 339318-76-2) is a chemical compound with molecular formula C21H15BrF3N3OS and molecular weight 493.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-bromothiophen-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A1292/0058790, 2-Amino-4-(4-bromothiophen-2-yl)-5-oxo-1-(3-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(4-bromo-2-thienyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(4-bromothiophen-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-4-(4-BROMO-2-THIENYL)-5-OXO-1-(3-(TRIFLUOROMETHYL)PHENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
| Molecular Formula | C21H15BrF3N3OS |
|---|---|
| Molecular Weight | 493.01 g/mol |
| LogP | 5.83418 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 493.00714 |
| Heavy Atoms | 30 |
| Complexity | 1142.8507 |
Chemical Identifiers
| CAS Number | 339318-76-2 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC(=CS4)Br)C(=O)C1 |
Product Overview
A1292/0058790 (CAS 339318-76-2), with molecular formula C21H15BrF3N3OS and molecular weight 493.01 g/mol. IUPAC: 2-amino-4-(4-bromothiophen-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A1292/0058790
Property Insights of A1292/0058790
The XLogP value of 5.83418 indicates that A1292/0058790 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for A1292/0058790. Following Lipinski's Rule of Five, A1292/0058790 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 A1292/0058790?
The CAS number of A1292/0058790 is 339318-76-2.
What is the molecular formula of A1292/0058790?
The molecular formula of A1292/0058790 is C21H15BrF3N3OS.
What is the molecular weight of A1292/0058790?
The molecular weight of A1292/0058790 is 493.01 g/mol.
Where can I buy A1292/0058790?
You can request a quote for A1292/0058790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1292/0058790?
Yes, KEHONG BIO provides custom synthesis services for A1292/0058790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.