ChemDiv1_005098
TL;DR: ChemDiv1_005098 (CAS 326907-73-7) is a chemical compound with molecular formula C25H24N2O4S and molecular weight 448.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_005098, 2-({1-[(4-methylphenyl)sulfonyl]-4-piperidinyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, AF-399/14739303, 3-{[1-(4-methylbenzenesulfonyl)piperidin-4-yl]methyl}-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione, F0885-0032
| Molecular Formula | C25H24N2O4S |
|---|---|
| Molecular Weight | 448.15 g/mol |
| LogP | 3.84512 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.1457 |
| Heavy Atoms | 32 |
| Complexity | 1273.0591 |
Chemical Identifiers
| CAS Number | 326907-73-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
ChemDiv1_005098 (CAS 326907-73-7), with molecular formula C25H24N2O4S and molecular weight 448.15 g/mol. IUPAC: 2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_005098
Property Insights of ChemDiv1_005098
The XLogP value of 3.84512 indicates that ChemDiv1_005098 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 ChemDiv1_005098. Following Lipinski's Rule of Five, ChemDiv1_005098 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 ChemDiv1_005098?
The CAS number of ChemDiv1_005098 is 326907-73-7.
What is the molecular formula of ChemDiv1_005098?
The molecular formula of ChemDiv1_005098 is C25H24N2O4S.
What is the molecular weight of ChemDiv1_005098?
The molecular weight of ChemDiv1_005098 is 448.15 g/mol.
Where can I buy ChemDiv1_005098?
You can request a quote for ChemDiv1_005098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005098?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.