VU0491995-1
TL;DR: VU0491995-1 (CAS 896358-59-1) is a chemical compound with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
Also Known As: VU0491995-1, F2669-0150, BRD-K41698178-001-01-1, 7-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-trien-2-one, 9-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-1,2,6,7-tetrahydropyrido[3,2,1-ij]quinolin-3(5H)-one
| Molecular Formula | C21H22N2O3S |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 2.659 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.1351 |
| Heavy Atoms | 27 |
| Complexity | 1028.1375 |
Chemical Identifiers
| CAS Number | 896358-59-1 |
|---|---|
| SMILES | C1CC2=C3C(=CC(=C2)S(=O)(=O)N4CCC5=CC=CC=C5C4)CCC(=O)N3C1 |
Product Overview
VU0491995-1 (CAS 896358-59-1), with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol. IUPAC: 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one.
Chemical Property Profile of VU0491995-1
Property Insights of VU0491995-1
The XLogP value of 2.659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0491995-1. With a topological polar surface area (TPSA) of 57.69 Ų, VU0491995-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0491995-1 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 VU0491995-1?
The CAS number of VU0491995-1 is 896358-59-1.
What is the molecular formula of VU0491995-1?
The molecular formula of VU0491995-1 is C21H22N2O3S.
What is the molecular weight of VU0491995-1?
The molecular weight of VU0491995-1 is 382.14 g/mol.
Where can I buy VU0491995-1?
You can request a quote for VU0491995-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0491995-1?
Yes, KEHONG BIO provides custom synthesis services for VU0491995-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.