VU0491952-1
TL;DR: VU0491952-1 (CAS 898436-38-9) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
Also Known As: VU0491952-1, F2665-0151, 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one, 8-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-5,6-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-4(2H)-one, 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
| Molecular Formula | C20H20N2O3S |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 2.2689 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.11948 |
| Heavy Atoms | 26 |
| Complexity | 1029.3469 |
Chemical Identifiers
| CAS Number | 898436-38-9 |
|---|---|
| SMILES | C1CC(=O)N2CCC3=CC(=CC1=C32)S(=O)(=O)N4CCC5=CC=CC=C5C4 |
Product Overview
VU0491952-1 (CAS 898436-38-9), with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol. IUPAC: 6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.
Chemical Property Profile of VU0491952-1
Property Insights of VU0491952-1
The XLogP value of 2.2689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0491952-1. With a topological polar surface area (TPSA) of 57.69 Ų, VU0491952-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0491952-1 has 0 hydrogen bond donor(s) and 3 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 VU0491952-1?
The CAS number of VU0491952-1 is 898436-38-9.
What is the molecular formula of VU0491952-1?
The molecular formula of VU0491952-1 is C20H20N2O3S.
What is the molecular weight of VU0491952-1?
The molecular weight of VU0491952-1 is 368.12 g/mol.
Where can I buy VU0491952-1?
You can request a quote for VU0491952-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0491952-1?
Yes, KEHONG BIO provides custom synthesis services for VU0491952-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.