N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
TL;DR: N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899757-46-1) is a chemical compound with molecular formula C17H14N2O6S and molecular weight 374.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: VU0495823-1, AB00681389-01, F2749-0194, N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, N-(benzo[d][1,3]dioxol-5-yl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide
| Molecular Formula | C17H14N2O6S |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | 1.5886 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.05725 |
| Heavy Atoms | 26 |
| Complexity | 1017.6632 |
Chemical Identifiers
| CAS Number | 899757-46-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899757-46-1), with molecular formula C17H14N2O6S and molecular weight 374.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Property Insights of N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
The XLogP value of 1.5886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide has 1 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 N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 899757-46-1.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is C17H14N2O6S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 374.06 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.