N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
TL;DR: N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 872468-70-7) is a chemical compound with molecular formula C14H18N2O4S and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: F2749-0067, N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, N-tert-butyl-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide, N-(tert-butyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide
| Molecular Formula | C14H18N2O4S |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 1.1359 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.09872 |
| Heavy Atoms | 21 |
| Complexity | 689.1707 |
Chemical Identifiers
| CAS Number | 872468-70-7 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CCN1C(=O)C2=CC=CC=C2S1(=O)=O |
Product Overview
N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 872468-70-7), with molecular formula C14H18N2O4S and molecular weight 310.10 g/mol. IUPAC: N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Property Insights of N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
The XLogP value of 1.1359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. Following Lipinski's Rule of Five, N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide has 1 hydrogen bond donor(s) and 4 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-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The CAS number of N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 872468-70-7.
What is the molecular formula of N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular formula of N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is C14H18N2O4S.
What is the molecular weight of N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular weight of N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 310.10 g/mol.
Where can I buy N-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
You can request a quote for N-tert-butyl-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-tert-butyl-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-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.