3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline
TL;DR: 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline (CAS 28971-06-4) is a chemical compound with molecular formula C15H15Cl2N and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[(E)-3-chlorobut-2-enyl]-2,8-dimethylquinoline
Also Known As: BAS 00333885, AB01324435-02, 4-Chloro-3-(3-chloro-but-2-enyl)-2,8-dimethyl-quinoline, 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline, 4-chloro-3-[(E)-3-chlorobut-2-enyl]-2,8-dimethylquinoline
| Molecular Formula | C15H15Cl2N |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 5.19014 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.05817 |
| Heavy Atoms | 18 |
| Complexity | 625.91644 |
Chemical Identifiers
| CAS Number | 28971-06-4 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=C(C(=N2)C)C/C=C(\C)/Cl)Cl |
Product Overview
3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline (CAS 28971-06-4), with molecular formula C15H15Cl2N and molecular weight 279.06 g/mol. IUPAC: 4-chloro-3-[(E)-3-chlorobut-2-enyl]-2,8-dimethylquinoline.
Chemical Property Profile of 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline
Property Insights of 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline
The XLogP value of 5.19014 indicates that 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline?
The CAS number of 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline is 28971-06-4.
What is the molecular formula of 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline?
The molecular formula of 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline is C15H15Cl2N.
What is the molecular weight of 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline?
The molecular weight of 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline is 279.06 g/mol.
Where can I buy 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline?
You can request a quote for 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-((2E)-3-chlorobut-2-enyl)-4-chloro-2,8-dimethylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.