N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
TL;DR: N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899954-70-2) is a chemical compound with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, F2749-0166, N-(4-acetylphenyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide, N-(4-acetylphenyl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide
| Molecular Formula | C18H16N2O5S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 2.0625 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.078 |
| Heavy Atoms | 26 |
| Complexity | 996.49646 |
Chemical Identifiers
| CAS Number | 899954-70-2 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CAS 899954-70-2), with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol. IUPAC: N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Property Insights of N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
The XLogP value of 2.0625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide. Following Lipinski's Rule of Five, N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide has 1 hydrogen bond donor(s) and 5 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-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The CAS number of N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 899954-70-2.
What is the molecular formula of N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular formula of N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is C18H16N2O5S.
What is the molecular weight of N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The molecular weight of N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is 372.08 g/mol.
Where can I buy N-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
You can request a quote for N-(4-acetylphenyl)-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-(4-acetylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-acetylphenyl)-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.