2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 952569-57-2) is a chemical compound with molecular formula C12H13ClN2 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-7,7-dimethyl-6,8-dihydro-5H-quinoline-3-carbonitrile
Also Known As: 2-chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-chloro-7,7-dimethyl-6,8-dihydro-5H-quinoline-3-carbonitrile, AP-836/41220474, 833-261-1, RefChem:469726
| Molecular Formula | C12H13ClN2 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 3.12158 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.07672 |
| Heavy Atoms | 15 |
| Complexity | 443.67072 |
Chemical Identifiers
| CAS Number | 952569-57-2 |
|---|---|
| SMILES | CC1(CCC2=CC(=C(N=C2C1)Cl)C#N)C |
Product Overview
2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 952569-57-2), with molecular formula C12H13ClN2 and molecular weight 220.08 g/mol. IUPAC: 2-chloro-7,7-dimethyl-6,8-dihydro-5H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 3.12158 indicates that 2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-7,7-dimethyl-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-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 952569-57-2.
What is the molecular formula of 2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C12H13ClN2.
What is the molecular weight of 2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 220.08 g/mol.
Where can I buy 2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-Chloro-7,7-dimethyl-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-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.