5,8-Difluoro-quinoline-2-carbaldehyde
TL;DR: 5,8-Difluoro-quinoline-2-carbaldehyde (CAS 126684-63-7) is a chemical compound with molecular formula C20H19N3O2S and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-nitrophenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene
Also Known As: 5,8-Difluoro-quinoline-2-carbaldehyde, 4H-(1)Benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,7,8,9,10-hexahydro-4-(4-nitrophenyl)-, 5,6-Dihydro-6-(4-nitrophenyl)-2,3-butano-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine, 4-(4-Nitrophenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine, 7-(4-nitrophenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene
| Molecular Formula | C20H19N3O2S |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 4.5184 |
| Topological Polar Surface Area | 60.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.1198 |
| Heavy Atoms | 26 |
| Complexity | 987.15753 |
Chemical Identifiers
| CAS Number | 126684-63-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N4C=CC=C4C(NC3)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
5,8-Difluoro-quinoline-2-carbaldehyde (CAS 126684-63-7), with molecular formula C20H19N3O2S and molecular weight 365.12 g/mol. IUPAC: 7-(4-nitrophenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene.
Chemical Property Profile of 5,8-Difluoro-quinoline-2-carbaldehyde
Property Insights of 5,8-Difluoro-quinoline-2-carbaldehyde
The XLogP value of 4.5184 indicates that 5,8-Difluoro-quinoline-2-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,8-Difluoro-quinoline-2-carbaldehyde. Following Lipinski's Rule of Five, 5,8-Difluoro-quinoline-2-carbaldehyde 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 5,8-Difluoro-quinoline-2-carbaldehyde?
The CAS number of 5,8-Difluoro-quinoline-2-carbaldehyde is 126684-63-7.
What is the molecular formula of 5,8-Difluoro-quinoline-2-carbaldehyde?
The molecular formula of 5,8-Difluoro-quinoline-2-carbaldehyde is C20H19N3O2S.
What is the molecular weight of 5,8-Difluoro-quinoline-2-carbaldehyde?
The molecular weight of 5,8-Difluoro-quinoline-2-carbaldehyde is 365.12 g/mol.
Where can I buy 5,8-Difluoro-quinoline-2-carbaldehyde?
You can request a quote for 5,8-Difluoro-quinoline-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,8-Difluoro-quinoline-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5,8-Difluoro-quinoline-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.