BAS 00108173
TL;DR: BAS 00108173 (CAS 299420-45-4) is a chemical compound with molecular formula C32H26BrN3O4S and molecular weight 627.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[3-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
Also Known As: BAS 00108173, 6-bromo-3-(5-(2-methoxyphenyl)-1-tosyl-4,5-dihydro-1H-pyrazol-3-yl)-4-phenylquinolin-2(1H)-one, F0016-1356, 6-bromo-3-[5-(2-methoxyphenyl)-1-(4-methylbenzenesulfonyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1,2-dihydroquinolin-2-one, 6-bromo-3-[3-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
| Molecular Formula | C32H26BrN3O4S |
|---|---|
| Molecular Weight | 627.08 g/mol |
| LogP | 6.81462 |
| Topological Polar Surface Area | 91.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 627.08276 |
| Heavy Atoms | 41 |
| Complexity | 1971.028 |
Chemical Identifiers
| CAS Number | 299420-45-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=C(C4=C(C=CC(=C4)Br)NC3=O)C5=CC=CC=C5)C6=CC=CC=C6OC |
Product Overview
BAS 00108173 (CAS 299420-45-4), with molecular formula C32H26BrN3O4S and molecular weight 627.08 g/mol. IUPAC: 6-bromo-3-[3-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one.
Chemical Property Profile of BAS 00108173
Property Insights of BAS 00108173
The XLogP value of 6.81462 indicates that BAS 00108173 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00108173. Following Lipinski's Rule of Five, BAS 00108173 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00108173?
The CAS number of BAS 00108173 is 299420-45-4.
What is the molecular formula of BAS 00108173?
The molecular formula of BAS 00108173 is C32H26BrN3O4S.
What is the molecular weight of BAS 00108173?
The molecular weight of BAS 00108173 is 627.08 g/mol.
Where can I buy BAS 00108173?
You can request a quote for BAS 00108173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00108173?
Yes, KEHONG BIO provides custom synthesis services for BAS 00108173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.