2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile
TL;DR: 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile (CAS 245079-29-2) is a chemical compound with molecular formula C11H8IN3 and molecular weight 308.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile
Also Known As: 2-iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile, J1.130.304H, 2-IODO-5,6,7,8-TETRAHYDRO-3,4-QUINOLINEDICARBONITRILE
| Molecular Formula | C11H8IN3 |
|---|---|
| Molecular Weight | 308.98 g/mol |
| LogP | 2.30836 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.9763 |
| Heavy Atoms | 15 |
| Complexity | 494.0252 |
Chemical Identifiers
| CAS Number | 245079-29-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)I)C#N)C#N |
Product Overview
2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile (CAS 245079-29-2), with molecular formula C11H8IN3 and molecular weight 308.98 g/mol. IUPAC: 2-iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile.
Chemical Property Profile of 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile
Property Insights of 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile
The XLogP value of 2.30836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile. Following Lipinski's Rule of Five, 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile has 0 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 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile?
The CAS number of 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile is 245079-29-2.
What is the molecular formula of 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile?
The molecular formula of 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile is C11H8IN3.
What is the molecular weight of 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile?
The molecular weight of 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile is 308.98 g/mol.
Where can I buy 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile?
You can request a quote for 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodo-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.