BAS 00620027
TL;DR: BAS 00620027 (CAS 331841-28-2) is a chemical compound with molecular formula C27H21BrClN3O and molecular weight 517.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(3-bromophenyl)-5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: BAS 00620027, F0216-0021, 1-[5-(3-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 1-(5-(3-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 1-[3-(3-bromophenyl)-5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone
| Molecular Formula | C27H21BrClN3O |
|---|---|
| Molecular Weight | 517.06 g/mol |
| LogP | 7.32372 |
| Topological Polar Surface Area | 45.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 517.05566 |
| Heavy Atoms | 33 |
| Complexity | 1418.0752 |
Chemical Identifiers
| CAS Number | 331841-28-2 |
|---|---|
| SMILES | CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C4=NN(C(C4)C5=CC(=CC=C5)Br)C(=O)C |
Product Overview
BAS 00620027 (CAS 331841-28-2), with molecular formula C27H21BrClN3O and molecular weight 517.06 g/mol. IUPAC: 1-[3-(3-bromophenyl)-5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of BAS 00620027
Property Insights of BAS 00620027
The XLogP value of 7.32372 indicates that BAS 00620027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.56 Ų, BAS 00620027 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00620027 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00620027?
The CAS number of BAS 00620027 is 331841-28-2.
What is the molecular formula of BAS 00620027?
The molecular formula of BAS 00620027 is C27H21BrClN3O.
What is the molecular weight of BAS 00620027?
The molecular weight of BAS 00620027 is 517.06 g/mol.
Where can I buy BAS 00620027?
You can request a quote for BAS 00620027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00620027?
Yes, KEHONG BIO provides custom synthesis services for BAS 00620027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.