2-(1,3-Benzodioxol-5-yl)-4-methylquinoline
TL;DR: 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline (CAS 1171815-61-4) is a chemical compound with molecular formula C17H13NO2 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-4-methylquinoline
Also Known As: 2-(1,3-benzodioxol-5-yl)-4-methylquinoline, Quinoline, 2-(1,3-benzodioxol-5-yl)-4-methyl-
| Molecular Formula | C17H13NO2 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 3.93892 |
| Topological Polar Surface Area | 31.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.09464 |
| Heavy Atoms | 20 |
| Complexity | 811.1942 |
Chemical Identifiers
| CAS Number | 1171815-61-4 |
|---|---|
| SMILES | CC1=CC(=NC2=CC=CC=C12)C3=CC4=C(C=C3)OCO4 |
Product Overview
2-(1,3-Benzodioxol-5-yl)-4-methylquinoline (CAS 1171815-61-4), with molecular formula C17H13NO2 and molecular weight 263.09 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-4-methylquinoline.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline
Property Insights of 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline
The XLogP value of 3.93892 indicates that 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.35 Ų, 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline 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-(1,3-Benzodioxol-5-yl)-4-methylquinoline?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline is 1171815-61-4.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline is C17H13NO2.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline is 263.09 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-4-methylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.