6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 107955-83-9) is a chemical compound with molecular formula C10H7BrN2O2 and molecular weight 265.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile, 6-Bromo-1,2,5,6,7,8-hexahydro-2,5-dioxoquinoline-3-carbonitrile, 1613AA, 6-bromo-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile, A-7317
| Molecular Formula | C10H7BrN2O2 |
|---|---|
| Molecular Weight | 265.97 g/mol |
| LogP | 1.13898 |
| Topological Polar Surface Area | 73.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 265.9691 |
| Heavy Atoms | 15 |
| Complexity | 527.2044 |
Chemical Identifiers
| CAS Number | 107955-83-9 |
|---|---|
| SMILES | C1CC2=C(C=C(C(=O)N2)C#N)C(=O)C1Br |
Product Overview
6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 107955-83-9), with molecular formula C10H7BrN2O2 and molecular weight 265.97 g/mol. IUPAC: 6-bromo-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 1.13898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile. The TPSA of 73.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is 107955-83-9.
What is the molecular formula of 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is C10H7BrN2O2.
What is the molecular weight of 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is 265.97 g/mol.
Where can I buy 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.