VU0495713-1
TL;DR: VU0495713-1 (CAS 452325-06-3) is a chemical compound with molecular formula C18H17N3O6S and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: VU0495713-1, F2748-0043, 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one, 2-(2-(4-(furan-2-carbonyl)piperazin-1-yl)-2-oxoethyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
| Molecular Formula | C18H17N3O6S |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 0.4087 |
| Topological Polar Surface Area | 108.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.0838 |
| Heavy Atoms | 28 |
| Complexity | 1039.0331 |
Chemical Identifiers
| CAS Number | 452325-06-3 |
|---|---|
| SMILES | C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(=O)C4=CC=CO4 |
Product Overview
VU0495713-1 (CAS 452325-06-3), with molecular formula C18H17N3O6S and molecular weight 403.08 g/mol. IUPAC: 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of VU0495713-1
Property Insights of VU0495713-1
The XLogP value of 0.4087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0495713-1. The TPSA of 108.21 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0495713-1. Following Lipinski's Rule of Five, VU0495713-1 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 VU0495713-1?
The CAS number of VU0495713-1 is 452325-06-3.
What is the molecular formula of VU0495713-1?
The molecular formula of VU0495713-1 is C18H17N3O6S.
What is the molecular weight of VU0495713-1?
The molecular weight of VU0495713-1 is 403.08 g/mol.
Where can I buy VU0495713-1?
You can request a quote for VU0495713-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0495713-1?
Yes, KEHONG BIO provides custom synthesis services for VU0495713-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.