ChemDiv1_005139
TL;DR: ChemDiv1_005139 (CAS 326007-84-5) is a chemical compound with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_005139, BAS 03353019, BIM-0002469.P001, 2-((1-(quinolin-8-ylsulfonyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, F0818-0053
| Molecular Formula | C27H23N3O4S |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 4.0849 |
| Topological Polar Surface Area | 87.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.14093 |
| Heavy Atoms | 35 |
| Complexity | 1551.6385 |
Chemical Identifiers
| CAS Number | 326007-84-5 |
|---|---|
| SMILES | C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)C5=CC=CC6=C5N=CC=C6 |
Product Overview
ChemDiv1_005139 (CAS 326007-84-5), with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol. IUPAC: 2-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_005139
Property Insights of ChemDiv1_005139
The XLogP value of 4.0849 indicates that ChemDiv1_005139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.65 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005139. Following Lipinski's Rule of Five, ChemDiv1_005139 has 0 hydrogen bond donor(s) and 5 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_005139?
The CAS number of ChemDiv1_005139 is 326007-84-5.
What is the molecular formula of ChemDiv1_005139?
The molecular formula of ChemDiv1_005139 is C27H23N3O4S.
What is the molecular weight of ChemDiv1_005139?
The molecular weight of ChemDiv1_005139 is 485.14 g/mol.
Where can I buy ChemDiv1_005139?
You can request a quote for ChemDiv1_005139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005139?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.