VU0130634-3
TL;DR: VU0130634-3 (CAS 452089-64-4) is a chemical compound with molecular formula C28H30N2O6S and molecular weight 522.18 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-methylpiperidin-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: VU0130634-3, 2-(4,5-dimethoxy-2-((4-methylpiperidin-1-yl)sulfonyl)phenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 3-(2-{4,5-dimethoxy-2-[(4-methylpiperidin-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-methylpiperidin-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione, 2-(2-{4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C28H30N2O6S |
|---|---|
| Molecular Weight | 522.18 g/mol |
| LogP | 4.1163 |
| Topological Polar Surface Area | 93.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.18243 |
| Heavy Atoms | 37 |
| Complexity | 1441.2883 |
Chemical Identifiers
| CAS Number | 452089-64-4 |
|---|---|
| SMILES | CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)OC)OC |
Product Overview
VU0130634-3 (CAS 452089-64-4), with molecular formula C28H30N2O6S and molecular weight 522.18 g/mol. IUPAC: 2-[2-[4,5-dimethoxy-2-(4-methylpiperidin-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of VU0130634-3
Property Insights of VU0130634-3
The XLogP value of 4.1163 indicates that VU0130634-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.22 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0130634-3. Following Lipinski's Rule of Five, VU0130634-3 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 VU0130634-3?
The CAS number of VU0130634-3 is 452089-64-4.
What is the molecular formula of VU0130634-3?
The molecular formula of VU0130634-3 is C28H30N2O6S.
What is the molecular weight of VU0130634-3?
The molecular weight of VU0130634-3 is 522.18 g/mol.
Where can I buy VU0130634-3?
You can request a quote for VU0130634-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0130634-3?
Yes, KEHONG BIO provides custom synthesis services for VU0130634-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.