VU0097274-2
TL;DR: VU0097274-2 (CAS 452089-70-2) is a chemical compound with molecular formula C27H29N3O6S and molecular weight 523.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4,5-dimethoxy-2-(4-methylpiperazin-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: VU0097274-2, 2-(4,5-dimethoxy-2-((4-methylpiperazin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, F1081-0076, 3-(2-{4,5-dimethoxy-2-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione, 2-[2-[4,5-dimethoxy-2-(4-methylpiperazin-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C27H29N3O6S |
|---|---|
| Molecular Weight | 523.18 g/mol |
| LogP | 2.6318 |
| Topological Polar Surface Area | 96.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.17773 |
| Heavy Atoms | 37 |
| Complexity | 1444.7574 |
Chemical Identifiers
| CAS Number | 452089-70-2 |
|---|---|
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)OC)OC |
Product Overview
VU0097274-2 (CAS 452089-70-2), with molecular formula C27H29N3O6S and molecular weight 523.18 g/mol. IUPAC: 2-[2-[4,5-dimethoxy-2-(4-methylpiperazin-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of VU0097274-2
Property Insights of VU0097274-2
The XLogP value of 2.6318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0097274-2. The TPSA of 96.46 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0097274-2. Following Lipinski's Rule of Five, VU0097274-2 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 VU0097274-2?
The CAS number of VU0097274-2 is 452089-70-2.
What is the molecular formula of VU0097274-2?
The molecular formula of VU0097274-2 is C27H29N3O6S.
What is the molecular weight of VU0097274-2?
The molecular weight of VU0097274-2 is 523.18 g/mol.
Where can I buy VU0097274-2?
You can request a quote for VU0097274-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0097274-2?
Yes, KEHONG BIO provides custom synthesis services for VU0097274-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.