3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile
TL;DR: 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile (CAS 66438-74-2) is a chemical compound with molecular formula C13H15BrN2O2 and molecular weight 310.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile
Also Known As: 3-bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile, 3-bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbon, 3-Bromo-2,4-dimethoxy-4-methyl-3,4-dihydroquinoline-1(2H)-carbonitrile, 1(2H)-QUINOLINECARBONITRILE,3-BROMO-3,4-DIHYDRO-2,4-DIMETHOXY-4-METHYL-
| Molecular Formula | C13H15BrN2O2 |
|---|---|
| Molecular Weight | 310.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.03168 |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 66438-74-2 |
|---|---|
| SMILES | CC1(C(C(N(C2=CC=CC=C21)C#N)OC)Br)OC |
| InChIKey | GLYBQGPDICIFIK-UHFFFAOYSA-N |
Product Overview
3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile (CAS 66438-74-2), with molecular formula C13H15BrN2O2 and molecular weight 310.03 g/mol. IUPAC: 3-bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile.
Chemical Property Profile of 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile
Property Insights of 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile. With a topological polar surface area (TPSA) of 45.5 Ų, 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile has 0 hydrogen bond donor(s) and 4 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 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile?
The CAS number of 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile is 66438-74-2.
What is the molecular formula of 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile?
The molecular formula of 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile is C13H15BrN2O2.
What is the molecular weight of 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile?
The molecular weight of 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile is 310.03 g/mol.
Where can I buy 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile?
You can request a quote for 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2,4-dimethoxy-4-methyl-2,3-dihydroquinoline-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.