VU0618442-1
TL;DR: VU0618442-1 (CAS 727689-78-3) is a chemical compound with molecular formula C19H14N2O5S2 and molecular weight 414.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
Also Known As: VU0618442-1, F3394-1250, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl}ethan-1-one, 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((4-(3-nitrophenyl)thiazol-2-yl)thio)ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
| Molecular Formula | C19H14N2O5S2 |
|---|---|
| Molecular Weight | 414.03 g/mol |
| LogP | 4.4645 |
| Topological Polar Surface Area | 91.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.03442 |
| Heavy Atoms | 28 |
| Complexity | 1050.3082 |
Chemical Identifiers
| CAS Number | 727689-78-3 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
VU0618442-1 (CAS 727689-78-3), with molecular formula C19H14N2O5S2 and molecular weight 414.03 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of VU0618442-1
Property Insights of VU0618442-1
The XLogP value of 4.4645 indicates that VU0618442-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.56 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0618442-1. Following Lipinski's Rule of Five, VU0618442-1 has 0 hydrogen bond donor(s) and 8 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 VU0618442-1?
The CAS number of VU0618442-1 is 727689-78-3.
What is the molecular formula of VU0618442-1?
The molecular formula of VU0618442-1 is C19H14N2O5S2.
What is the molecular weight of VU0618442-1?
The molecular weight of VU0618442-1 is 414.03 g/mol.
Where can I buy VU0618442-1?
You can request a quote for VU0618442-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0618442-1?
Yes, KEHONG BIO provides custom synthesis services for VU0618442-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.