![N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide structure](/static/products/7496/7496-70-0.webp)
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
TL;DR: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide (CAS 7496-70-0) is a chemical compound with molecular formula C13H12N2OS and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
Also Known As: IFLab1_000845, N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide, N-(4,5-dihydronaphtho[1,2-d][1,3]thiazol-2-yl)acetamide, AN-319/12590002
| Molecular Formula | C13H12N2OS |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.06703 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 7496-70-0 |
|---|---|
| SMILES | CC(=O)NC1=NC2=C(S1)CCC3=CC=CC=C32 |
| InChIKey | QMHPCMDFILVHES-UHFFFAOYSA-N |
Product Overview
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide (CAS 7496-70-0), with molecular formula C13H12N2OS and molecular weight 244.07 g/mol. IUPAC: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
Property Insights of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 3 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-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
The CAS number of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide is 7496-70-0.
What is the molecular formula of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
The molecular formula of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide is C13H12N2OS.
What is the molecular weight of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
The molecular weight of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide is 244.07 g/mol.
Where can I buy N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
You can request a quote for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.