4-Chloro-2-methyl-3-prop-2-enylquinoline
TL;DR: 4-Chloro-2-methyl-3-prop-2-enylquinoline (CAS 1531-63-1) is a chemical compound with molecular formula C13H12ClN and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methyl-3-prop-2-enylquinoline
Also Known As: 3-allyl-4-chloro-2-methylquinoline, 3-Allyl-4-chloro-2-methyl-quinoline, 4-chloro-2-methyl-3-prop-2-enylquinoline, BAS 01317845, 4-chloro-2-methyl-3-(prop-2-en-1-yl)quinoline
| Molecular Formula | C13H12ClN |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.06583 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 1531-63-1 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=C1CC=C)Cl |
| InChIKey | WXDVTFFTLONCMP-UHFFFAOYSA-N |
Product Overview
4-Chloro-2-methyl-3-prop-2-enylquinoline (CAS 1531-63-1), with molecular formula C13H12ClN and molecular weight 217.07 g/mol. IUPAC: 4-chloro-2-methyl-3-prop-2-enylquinoline.
Chemical Property Profile of 4-Chloro-2-methyl-3-prop-2-enylquinoline
Property Insights of 4-Chloro-2-methyl-3-prop-2-enylquinoline
The XLogP value of 4.3 indicates that 4-Chloro-2-methyl-3-prop-2-enylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 4-Chloro-2-methyl-3-prop-2-enylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-methyl-3-prop-2-enylquinoline has 0 hydrogen bond donor(s) and 1 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 4-Chloro-2-methyl-3-prop-2-enylquinoline?
The CAS number of 4-Chloro-2-methyl-3-prop-2-enylquinoline is 1531-63-1.
What is the molecular formula of 4-Chloro-2-methyl-3-prop-2-enylquinoline?
The molecular formula of 4-Chloro-2-methyl-3-prop-2-enylquinoline is C13H12ClN.
What is the molecular weight of 4-Chloro-2-methyl-3-prop-2-enylquinoline?
The molecular weight of 4-Chloro-2-methyl-3-prop-2-enylquinoline is 217.07 g/mol.
Where can I buy 4-Chloro-2-methyl-3-prop-2-enylquinoline?
You can request a quote for 4-Chloro-2-methyl-3-prop-2-enylquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-methyl-3-prop-2-enylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methyl-3-prop-2-enylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.