J2.561.250G
TL;DR: J2.561.250G (CAS 583832-85-3) is a chemical compound with molecular formula C25H20BrNO5S and molecular weight 525.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-bromo-2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylate
Also Known As: J2.561.250G, methyl 6-bromo-2-[(4-methanesulfonylphenyl)methyl]-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylate, 3-Isoquinolinecarboxylic acid, 6-bromo-1,2-dihydro-2-[[4-(methylsulfonyl)phenyl]methyl]-1-oxo-4-phenyl-, methyl ester, 3-Isoquinolinecarboxylic acid,6-bromo-1,2-dihydro-2-[[4-(methylsulfonyl)phenyl]methyl]-1-oxo-4-phenyl-,methyl ester, 6-bromo-1,2-dihydro-2-[[4-(methylsulfonyl)phenyl]methyl]-1-oxo-4-phenyl-3-Isoquinolinecarboxylic acid methyl ester
| Molecular Formula | C25H20BrNO5S |
|---|---|
| Molecular Weight | 525.02 g/mol |
| LogP | 4.6694 |
| Topological Polar Surface Area | 82.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.02454 |
| Heavy Atoms | 33 |
| Complexity | 1525.6144 |
Chemical Identifiers
| CAS Number | 583832-85-3 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4 |
Product Overview
J2.561.250G (CAS 583832-85-3), with molecular formula C25H20BrNO5S and molecular weight 525.02 g/mol. IUPAC: methyl 6-bromo-2-[(4-methylsulfonylphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylate.
Chemical Property Profile of J2.561.250G
Property Insights of J2.561.250G
The XLogP value of 4.6694 indicates that J2.561.250G is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.44 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.561.250G. Following Lipinski's Rule of Five, J2.561.250G has 0 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 J2.561.250G?
The CAS number of J2.561.250G is 583832-85-3.
What is the molecular formula of J2.561.250G?
The molecular formula of J2.561.250G is C25H20BrNO5S.
What is the molecular weight of J2.561.250G?
The molecular weight of J2.561.250G is 525.02 g/mol.
Where can I buy J2.561.250G?
You can request a quote for J2.561.250G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.561.250G?
Yes, KEHONG BIO provides custom synthesis services for J2.561.250G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.