VU0097303-3
TL;DR: VU0097303-3 (CAS 452089-54-2) 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-[2-(azepan-1-ylsulfonyl)-4,5-dimethoxyphenyl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: VU0097303-3, 3-{2-[2-(azepane-1-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-(azepan-1-ylsulfonyl)-4,5-dimethoxyphenyl]ethyl]benzo[de]isoquinoline-1,3-dione, 2-(2-(azepan-1-ylsulfonyl)-4,5-dimethoxyphenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-[2-(1-AZEPANYLSULFONYL)-4,5-DIMETHOXYPHENETHYL]-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE
| Molecular Formula | C28H30N2O6S |
|---|---|
| Molecular Weight | 522.18 g/mol |
| LogP | 4.2604 |
| 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 | 1424.7659 |
Chemical Identifiers
| CAS Number | 452089-54-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)N5CCCCCC5)OC |
Product Overview
VU0097303-3 (CAS 452089-54-2), with molecular formula C28H30N2O6S and molecular weight 522.18 g/mol. IUPAC: 2-[2-[2-(azepan-1-ylsulfonyl)-4,5-dimethoxyphenyl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of VU0097303-3
Property Insights of VU0097303-3
The XLogP value of 4.2604 indicates that VU0097303-3 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 VU0097303-3. Following Lipinski's Rule of Five, VU0097303-3 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 VU0097303-3?
The CAS number of VU0097303-3 is 452089-54-2.
What is the molecular formula of VU0097303-3?
The molecular formula of VU0097303-3 is C28H30N2O6S.
What is the molecular weight of VU0097303-3?
The molecular weight of VU0097303-3 is 522.18 g/mol.
Where can I buy VU0097303-3?
You can request a quote for VU0097303-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0097303-3?
Yes, KEHONG BIO provides custom synthesis services for VU0097303-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.