VU0488931-1
TL;DR: VU0488931-1 (CAS 452089-52-0) is a chemical compound with molecular formula C33H33N3O6S and molecular weight 599.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(4-benzylpiperazin-1-yl)sulfonyl-4,5-dimethoxyphenyl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: VU0488931-1, F1081-0009, 2-(2-((4-benzylpiperazin-1-yl)sulfonyl)-4,5-dimethoxyphenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 3-(2-{2-[(4-benzylpiperazin-1-yl)sulfonyl]-4,5-dimethoxyphenyl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione, 2-[2-[2-(4-benzylpiperazin-1-yl)sulfonyl-4,5-dimethoxyphenyl]ethyl]benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C33H33N3O6S |
|---|---|
| Molecular Weight | 599.21 g/mol |
| LogP | 4.2022 |
| Topological Polar Surface Area | 96.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 599.209 |
| Heavy Atoms | 43 |
| Complexity | 1749.9094 |
Chemical Identifiers
| CAS Number | 452089-52-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)N5CCN(CC5)CC6=CC=CC=C6)OC |
Product Overview
VU0488931-1 (CAS 452089-52-0), with molecular formula C33H33N3O6S and molecular weight 599.21 g/mol. IUPAC: 2-[2-[2-(4-benzylpiperazin-1-yl)sulfonyl-4,5-dimethoxyphenyl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of VU0488931-1
Property Insights of VU0488931-1
The XLogP value of 4.2022 indicates that VU0488931-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.46 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0488931-1. Following Lipinski's Rule of Five, VU0488931-1 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0488931-1?
The CAS number of VU0488931-1 is 452089-52-0.
What is the molecular formula of VU0488931-1?
The molecular formula of VU0488931-1 is C33H33N3O6S.
What is the molecular weight of VU0488931-1?
The molecular weight of VU0488931-1 is 599.21 g/mol.
Where can I buy VU0488931-1?
You can request a quote for VU0488931-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0488931-1?
Yes, KEHONG BIO provides custom synthesis services for VU0488931-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.