5,8-Difluoro-quinoline-2-carbaldehyde
TL;DR: 5,8-Difluoro-quinoline-2-carbaldehyde (CAS 126684-59-1) is a chemical compound with molecular formula C20H19ClN2S and molecular weight 354.09573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(3-chlorophenyl)-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-(3-chlorophenyl)-, 4-(3-chlorophenyl)-5,6,7,8,9,10-hexahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine, 4H-(1)Benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,7,8,9,10-hex ahydro-4-(3-chlorophenyl)-, 7-(3-chlorophenyl)-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene
Technical Specifications
| Molecular Formula | C20H19ClN2S |
| Molecular Weight | 354.09573 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 354.09573 Da |
| Heavy Atoms | 24 |
| Complexity | 461.0 |
| SMILES | C1CCC2=C(C1)C3=C(S2)N4C=CC=C4C(NC3)C5=CC(=CC=C5)Cl |
| InChIKey | ACMUPPDDQFBFEE-UHFFFAOYSA-N |
Chemical Property Profile of 5,8-Difluoro-quinoline-2-carbaldehyde
Property Insights of 5,8-Difluoro-quinoline-2-carbaldehyde
The XLogP value of 4.9 indicates that 5,8-Difluoro-quinoline-2-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, 5,8-Difluoro-quinoline-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,8-Difluoro-quinoline-2-carbaldehyde has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 126684-59-1.
What is the molecular formula of 5,8-Difluoro-quinoline-2-carbaldehyde?
The molecular formula of 5,8-Difluoro-quinoline-2-carbaldehyde is C20H19ClN2S.
What is the molecular weight of 5,8-Difluoro-quinoline-2-carbaldehyde?
The molecular weight of 5,8-Difluoro-quinoline-2-carbaldehyde is 354.09573 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,8-Difluoro-quinoline-2-carbaldehyde?
Yes, CoreyChem 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.