BAS 00345619
TL;DR: BAS 00345619 (CAS 314034-66-7) is a chemical compound with molecular formula C28H24BrN3O2 and molecular weight 513.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: BAS 00345619, 1-[3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, F0044-0005, 1-(3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 1-[5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
| Molecular Formula | C28H24BrN3O2 |
|---|---|
| Molecular Weight | 513.11 g/mol |
| LogP | 6.67892 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.10516 |
| Heavy Atoms | 34 |
| Complexity | 1415.5481 |
Chemical Identifiers
| CAS Number | 314034-66-7 |
|---|---|
| SMILES | CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=NN(C(C4)C5=CC=C(C=C5)OC)C(=O)C |
Product Overview
BAS 00345619 (CAS 314034-66-7), with molecular formula C28H24BrN3O2 and molecular weight 513.11 g/mol. IUPAC: 1-[5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of BAS 00345619
Property Insights of BAS 00345619
The XLogP value of 6.67892 indicates that BAS 00345619 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.79 Ų, BAS 00345619 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00345619 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00345619?
The CAS number of BAS 00345619 is 314034-66-7.
What is the molecular formula of BAS 00345619?
The molecular formula of BAS 00345619 is C28H24BrN3O2.
What is the molecular weight of BAS 00345619?
The molecular weight of BAS 00345619 is 513.11 g/mol.
Where can I buy BAS 00345619?
You can request a quote for BAS 00345619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00345619?
Yes, KEHONG BIO provides custom synthesis services for BAS 00345619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.