VU0495708-1
TL;DR: VU0495708-1 (CAS 522627-65-2) is a chemical compound with molecular formula C17H20N2O6S and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]piperidine-3-carboxylate
Also Known As: VU0495708-1, ethyl 1-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetyl)piperidine-3-carboxylate, ethyl 1-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]piperidine-3-carboxylate, ethyl 1-[2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetyl]piperidine-3-carboxylate, ethyl 1-[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]piperidine-3-carboxylate
| Molecular Formula | C17H20N2O6S |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 0.6328 |
| Topological Polar Surface Area | 101.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.10422 |
| Heavy Atoms | 26 |
| Complexity | 850.564 |
Chemical Identifiers
| CAS Number | 522627-65-2 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
VU0495708-1 (CAS 522627-65-2), with molecular formula C17H20N2O6S and molecular weight 380.10 g/mol. IUPAC: ethyl 1-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]piperidine-3-carboxylate.
Chemical Property Profile of VU0495708-1
Property Insights of VU0495708-1
The XLogP value of 0.6328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0495708-1. The TPSA of 101.06 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0495708-1. Following Lipinski's Rule of Five, VU0495708-1 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 VU0495708-1?
The CAS number of VU0495708-1 is 522627-65-2.
What is the molecular formula of VU0495708-1?
The molecular formula of VU0495708-1 is C17H20N2O6S.
What is the molecular weight of VU0495708-1?
The molecular weight of VU0495708-1 is 380.10 g/mol.
Where can I buy VU0495708-1?
You can request a quote for VU0495708-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0495708-1?
Yes, KEHONG BIO provides custom synthesis services for VU0495708-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.