A1712/0072994
TL;DR: A1712/0072994 (CAS 296790-08-4) is a chemical compound with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: A1712/0072994, 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-({[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydroquinoline, 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 2-(5-(2-furyl)-4-phenyl(1,2,4-triazol-3-ylthio))-1-(1,2,3,4-tetrahydroquinolyl )ethan-1-one
| Molecular Formula | C23H20N4O2S |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 4.5988 |
| Topological Polar Surface Area | 64.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.1307 |
| Heavy Atoms | 30 |
| Complexity | 1155.1869 |
Chemical Identifiers
| CAS Number | 296790-08-4 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5 |
Product Overview
A1712/0072994 (CAS 296790-08-4), with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of A1712/0072994
Property Insights of A1712/0072994
The XLogP value of 4.5988 indicates that A1712/0072994 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.16 Ų falls within the moderate polarity range, balancing permeability and solubility for A1712/0072994. Following Lipinski's Rule of Five, A1712/0072994 has 0 hydrogen bond donor(s) and 5 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 A1712/0072994?
The CAS number of A1712/0072994 is 296790-08-4.
What is the molecular formula of A1712/0072994?
The molecular formula of A1712/0072994 is C23H20N4O2S.
What is the molecular weight of A1712/0072994?
The molecular weight of A1712/0072994 is 416.13 g/mol.
Where can I buy A1712/0072994?
You can request a quote for A1712/0072994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1712/0072994?
Yes, KEHONG BIO provides custom synthesis services for A1712/0072994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.