ChemDiv1_002729
TL;DR: ChemDiv1_002729 (CAS 324774-76-7) is a chemical compound with molecular formula C25H25N3O5S and molecular weight 479.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_002729, BAS 01057504, BIM-0034417.P001, VU0488290-1, AB00097861-01
| Molecular Formula | C25H25N3O5S |
|---|---|
| Molecular Weight | 479.15 g/mol |
| LogP | 2.4509 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.1515 |
| Heavy Atoms | 34 |
| Complexity | 1312.3165 |
Chemical Identifiers
| CAS Number | 324774-76-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
ChemDiv1_002729 (CAS 324774-76-7), with molecular formula C25H25N3O5S and molecular weight 479.15 g/mol. IUPAC: 2-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_002729
Property Insights of ChemDiv1_002729
The XLogP value of 2.4509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002729. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002729. Following Lipinski's Rule of Five, ChemDiv1_002729 has 0 hydrogen bond donor(s) and 6 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_002729?
The CAS number of ChemDiv1_002729 is 324774-76-7.
What is the molecular formula of ChemDiv1_002729?
The molecular formula of ChemDiv1_002729 is C25H25N3O5S.
What is the molecular weight of ChemDiv1_002729?
The molecular weight of ChemDiv1_002729 is 479.15 g/mol.
Where can I buy ChemDiv1_002729?
You can request a quote for ChemDiv1_002729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002729?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.