VU0495781-1
TL;DR: VU0495781-1 (CAS 899995-80-3) is a chemical compound with molecular formula C18H22N2O6S and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoyl]piperidine-4-carboxylate
Also Known As: VU0495781-1, F2749-0030, ethyl 1-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanoyl)piperidine-4-carboxylate, ethyl 1-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoyl]piperidine-4-carboxylate, ethyl 1-[3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanoyl]piperidine-4-carboxylate
| Molecular Formula | C18H22N2O6S |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 1.0229 |
| Topological Polar Surface Area | 101.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.11984 |
| Heavy Atoms | 27 |
| Complexity | 858.3577 |
Chemical Identifiers
| CAS Number | 899995-80-3 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
VU0495781-1 (CAS 899995-80-3), with molecular formula C18H22N2O6S and molecular weight 394.12 g/mol. IUPAC: ethyl 1-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoyl]piperidine-4-carboxylate.
Chemical Property Profile of VU0495781-1
Property Insights of VU0495781-1
The XLogP value of 1.0229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0495781-1. The TPSA of 101.06 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0495781-1. Following Lipinski's Rule of Five, VU0495781-1 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 VU0495781-1?
The CAS number of VU0495781-1 is 899995-80-3.
What is the molecular formula of VU0495781-1?
The molecular formula of VU0495781-1 is C18H22N2O6S.
What is the molecular weight of VU0495781-1?
The molecular weight of VU0495781-1 is 394.12 g/mol.
Where can I buy VU0495781-1?
You can request a quote for VU0495781-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0495781-1?
Yes, KEHONG BIO provides custom synthesis services for VU0495781-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.