VU0498342-1
TL;DR: VU0498342-1 (CAS 899994-09-3) is a chemical compound with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
Also Known As: VU0498342-1, F2780-0725, N'-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-tert-butyl-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl}ethanediamide, N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide, N1-(benzo[d][1,3]dioxol-5-ylmethyl)-N2-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)oxalamide
| Molecular Formula | C19H22N4O4S |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 2.3685 |
| Topological Polar Surface Area | 94.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.13617 |
| Heavy Atoms | 28 |
| Complexity | 948.14075 |
Chemical Identifiers
| CAS Number | 899994-09-3 |
|---|---|
| SMILES | CC(C)(C)N1C(=C2CSCC2=N1)NC(=O)C(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
VU0498342-1 (CAS 899994-09-3), with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide.
Chemical Property Profile of VU0498342-1
Property Insights of VU0498342-1
The XLogP value of 2.3685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0498342-1. The TPSA of 94.48 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0498342-1. Following Lipinski's Rule of Five, VU0498342-1 has 2 hydrogen bond donor(s) and 6 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 VU0498342-1?
The CAS number of VU0498342-1 is 899994-09-3.
What is the molecular formula of VU0498342-1?
The molecular formula of VU0498342-1 is C19H22N4O4S.
What is the molecular weight of VU0498342-1?
The molecular weight of VU0498342-1 is 402.14 g/mol.
Where can I buy VU0498342-1?
You can request a quote for VU0498342-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0498342-1?
Yes, KEHONG BIO provides custom synthesis services for VU0498342-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.