1-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline
TL;DR: 1-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline (CAS 443666-88-4) is a chemical compound with molecular formula C17H16BrNO and molecular weight 329.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
Also Known As: 1-(3-bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline, AN-329/41006734, (3-bromo-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone, 3-bromo-4-methylphenyl 1,2,3,4-tetrahydroquinolyl ketone, (3-bromo-4-methylphenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone
| Molecular Formula | C17H16BrNO |
|---|---|
| Molecular Weight | 329.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.04153 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 443666-88-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCCC3=CC=CC=C32)Br |
| InChIKey | JMHMYBJOXDFLNH-UHFFFAOYSA-N |
Product Overview
1-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline (CAS 443666-88-4), with molecular formula C17H16BrNO and molecular weight 329.04 g/mol. IUPAC: (3-bromo-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
Chemical Property Profile of 1-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline
Property Insights of 1-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline
The XLogP value of 4.4 indicates that 1-(3-Bromo-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-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromo-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-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline?
The CAS number of 1-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline is 443666-88-4.
What is the molecular formula of 1-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline?
The molecular formula of 1-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline is C17H16BrNO.
What is the molecular weight of 1-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline?
The molecular weight of 1-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline is 329.04 g/mol.
Where can I buy 1-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline?
You can request a quote for 1-(3-Bromo-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-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromo-4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.