VU0491947-1
TL;DR: VU0491947-1 (CAS 898462-68-5) is a chemical compound with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazin-1-yl)sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
Also Known As: VU0491947-1, F2665-0074, 6-[(4-benzylpiperazin-1-yl)sulfonyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one, 8-((4-benzylpiperazin-1-yl)sulfonyl)-5,6-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-4(2H)-one, 6-(4-benzylpiperazin-1-yl)sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
| Molecular Formula | C22H25N3O3S |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 2.0284 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.16165 |
| Heavy Atoms | 29 |
| Complexity | 1044.4722 |
Chemical Identifiers
| CAS Number | 898462-68-5 |
|---|---|
| SMILES | C1CC(=O)N2CCC3=CC(=CC1=C32)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5 |
Product Overview
VU0491947-1 (CAS 898462-68-5), with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.
Chemical Property Profile of VU0491947-1
Property Insights of VU0491947-1
The XLogP value of 2.0284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0491947-1. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0491947-1. Following Lipinski's Rule of Five, VU0491947-1 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0491947-1?
The CAS number of VU0491947-1 is 898462-68-5.
What is the molecular formula of VU0491947-1?
The molecular formula of VU0491947-1 is C22H25N3O3S.
What is the molecular weight of VU0491947-1?
The molecular weight of VU0491947-1 is 411.16 g/mol.
Where can I buy VU0491947-1?
You can request a quote for VU0491947-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0491947-1?
Yes, KEHONG BIO provides custom synthesis services for VU0491947-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.