A3028/0127727
TL;DR: A3028/0127727 (CAS 388625-58-9) is a chemical compound with molecular formula C25H22N2O4S and molecular weight 446.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
Also Known As: A3028/0127727, 2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione, 2-({2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydro-1-isoquinolinyl}methyl)-1H-isoindole-1,3(2H)-dione, 2-((2-tosyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)isoindoline-1,3-dione, 2-({2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C25H22N2O4S |
|---|---|
| Molecular Weight | 446.13 g/mol |
| LogP | 3.57932 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.13004 |
| Heavy Atoms | 32 |
| Complexity | 1297.0577 |
Chemical Identifiers
| CAS Number | 388625-58-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CN4C(=O)C5=CC=CC=C5C4=O |
Product Overview
A3028/0127727 (CAS 388625-58-9), with molecular formula C25H22N2O4S and molecular weight 446.13 g/mol. IUPAC: 2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione.
Chemical Property Profile of A3028/0127727
Property Insights of A3028/0127727
The XLogP value of 3.57932 indicates that A3028/0127727 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for A3028/0127727. Following Lipinski's Rule of Five, A3028/0127727 has 0 hydrogen bond donor(s) and 4 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 A3028/0127727?
The CAS number of A3028/0127727 is 388625-58-9.
What is the molecular formula of A3028/0127727?
The molecular formula of A3028/0127727 is C25H22N2O4S.
What is the molecular weight of A3028/0127727?
The molecular weight of A3028/0127727 is 446.13 g/mol.
Where can I buy A3028/0127727?
You can request a quote for A3028/0127727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3028/0127727?
Yes, KEHONG BIO provides custom synthesis services for A3028/0127727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.