VU0494324-1
TL;DR: VU0494324-1 (CAS 618396-86-4) is a chemical compound with molecular formula C19H17N3O6S2 and molecular weight 447.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-3-nitrobenzamide
Also Known As: VU0494324-1, (E)-N-(3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-3-nitrobenzamide, AS-871/41981395, F1404-0014, N-[(2E)-3-(3-methoxyphenyl)-5,5-dioxo-hexahydro-5lambda6-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-nitrobenzamide
| Molecular Formula | C19H17N3O6S2 |
|---|---|
| Molecular Weight | 447.06 g/mol |
| LogP | 2.5186 |
| Topological Polar Surface Area | 119.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.05588 |
| Heavy Atoms | 30 |
| Complexity | 1164.3646 |
Chemical Identifiers
| CAS Number | 618396-86-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C3CS(=O)(=O)CC3SC2=NC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
VU0494324-1 (CAS 618396-86-4), with molecular formula C19H17N3O6S2 and molecular weight 447.06 g/mol. IUPAC: N-[3-(3-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-3-nitrobenzamide.
Chemical Property Profile of VU0494324-1
Property Insights of VU0494324-1
The XLogP value of 2.5186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0494324-1. The TPSA of 119.18 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0494324-1. Following Lipinski's Rule of Five, VU0494324-1 has 0 hydrogen bond donor(s) and 7 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 VU0494324-1?
The CAS number of VU0494324-1 is 618396-86-4.
What is the molecular formula of VU0494324-1?
The molecular formula of VU0494324-1 is C19H17N3O6S2.
What is the molecular weight of VU0494324-1?
The molecular weight of VU0494324-1 is 447.06 g/mol.
Where can I buy VU0494324-1?
You can request a quote for VU0494324-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0494324-1?
Yes, KEHONG BIO provides custom synthesis services for VU0494324-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.