ChemDiv1_004963
TL;DR: ChemDiv1_004963 (CAS 326007-74-3) is a chemical compound with molecular formula C28H24ClN3O4S and molecular weight 533.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_004963, BIM-0003151.P001, AF-399/13926021, 3-{2-[4-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethyl}-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione, F0818-0038
| Molecular Formula | C28H24ClN3O4S |
|---|---|
| Molecular Weight | 533.12 g/mol |
| LogP | 4.7705 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 533.1176 |
| Heavy Atoms | 37 |
| Complexity | 1523.9965 |
Chemical Identifiers
| CAS Number | 326007-74-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)Cl |
Product Overview
ChemDiv1_004963 (CAS 326007-74-3), with molecular formula C28H24ClN3O4S and molecular weight 533.12 g/mol. IUPAC: 2-[2-[4-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_004963
Property Insights of ChemDiv1_004963
The XLogP value of 4.7705 indicates that ChemDiv1_004963 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004963. Following Lipinski's Rule of Five, ChemDiv1_004963 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004963?
The CAS number of ChemDiv1_004963 is 326007-74-3.
What is the molecular formula of ChemDiv1_004963?
The molecular formula of ChemDiv1_004963 is C28H24ClN3O4S.
What is the molecular weight of ChemDiv1_004963?
The molecular weight of ChemDiv1_004963 is 533.12 g/mol.
Where can I buy ChemDiv1_004963?
You can request a quote for ChemDiv1_004963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004963?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.