VU0494323-1
TL;DR: VU0494323-1 (CAS 618396-81-9) is a chemical compound with molecular formula C18H14ClN3O5S2 and molecular weight 451.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-3-nitrobenzamide
Also Known As: VU0494323-1, F1404-0013, (E)-N-(3-(4-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-3-nitrobenzamide, N-[(2E)-3-(4-chlorophenyl)-5,5-dioxo-hexahydro-5lambda6-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-nitrobenzamide, N-[3-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-3-nitrobenzamide
| Molecular Formula | C18H14ClN3O5S2 |
|---|---|
| Molecular Weight | 451.01 g/mol |
| LogP | 3.1634 |
| Topological Polar Surface Area | 109.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.00635 |
| Heavy Atoms | 29 |
| Complexity | 1134.4406 |
Chemical Identifiers
| CAS Number | 618396-81-9 |
|---|---|
| SMILES | C1C2C(CS1(=O)=O)SC(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N2C4=CC=C(C=C4)Cl |
Product Overview
VU0494323-1 (CAS 618396-81-9), with molecular formula C18H14ClN3O5S2 and molecular weight 451.01 g/mol. IUPAC: N-[3-(4-chlorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-3-nitrobenzamide.
Chemical Property Profile of VU0494323-1
Property Insights of VU0494323-1
The XLogP value of 3.1634 indicates that VU0494323-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.95 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0494323-1. Following Lipinski's Rule of Five, VU0494323-1 has 0 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 VU0494323-1?
The CAS number of VU0494323-1 is 618396-81-9.
What is the molecular formula of VU0494323-1?
The molecular formula of VU0494323-1 is C18H14ClN3O5S2.
What is the molecular weight of VU0494323-1?
The molecular weight of VU0494323-1 is 451.01 g/mol.
Where can I buy VU0494323-1?
You can request a quote for VU0494323-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0494323-1?
Yes, KEHONG BIO provides custom synthesis services for VU0494323-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.