2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 65242-28-6) is a chemical compound with molecular formula C10H9BrN2 and molecular weight 235.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile, XMQNLGKWZDZTSR-UHFFFAOYSA, XMQNLGKWZDZTSR-UHFFFAOYSA-, 3-Quinolinecarbonitrile, 2-bromo-5,6,7,8-tetrahydro-, 2-Bromo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
| Molecular Formula | C10H9BrN2 |
|---|---|
| Molecular Weight | 235.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.9949 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 65242-28-6 |
|---|---|
| SMILES | C1CCC2=NC(=C(C=C2C1)C#N)Br |
| InChIKey | XMQNLGKWZDZTSR-UHFFFAOYSA-N |
Product Overview
2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 65242-28-6), with molecular formula C10H9BrN2 and molecular weight 235.99 g/mol. IUPAC: 2-bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile has 0 hydrogen bond donor(s) and 2 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 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 65242-28-6.
What is the molecular formula of 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C10H9BrN2.
What is the molecular weight of 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 235.99 g/mol.
Where can I buy 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.