1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline
TL;DR: 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline (CAS 535-86-4) is a chemical compound with molecular formula C17H17NO and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-quinolin-1-yl-(4-methylphenyl)methanone
Also Known As: 1-(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline, KST-1A5522, (3,4-Dihydro-2H-quinolin-1-yl)-p-tolyl-methanone, BAS 00501601, BIM-0018438.P001
| Molecular Formula | C17H17NO |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.13101 |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 535-86-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32 |
| InChIKey | VZHRCTGZYLKICF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline (CAS 535-86-4), with molecular formula C17H17NO and molecular weight 251.13 g/mol. IUPAC: 3,4-dihydro-2H-quinolin-1-yl-(4-methylphenyl)methanone.
Chemical Property Profile of 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline
Property Insights of 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline
The XLogP value of 3.7 indicates that 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline 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 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline?
The CAS number of 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline is 535-86-4.
What is the molecular formula of 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline?
The molecular formula of 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline is C17H17NO.
What is the molecular weight of 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline?
The molecular weight of 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline is 251.13 g/mol.
Where can I buy 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline?
You can request a quote for 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylbenzoyl)-1,2,3,4-tetrahydroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.