2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
TL;DR: 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide (CAS 865181-56-2) is a chemical compound with molecular formula C20H12FN3O3S and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
Also Known As: 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide, F1365-2568, (Z)-2-(1,3-dioxoisoindolin-2-yl)-N-(6-fluoro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)acetamide, 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(2Z)-6-fluoro-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide
| Molecular Formula | C20H12FN3O3S |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 2.1986 |
| Topological Polar Surface Area | 71.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.05835 |
| Heavy Atoms | 28 |
| Complexity | 1230.6719 |
Chemical Identifiers
| CAS Number | 865181-56-2 |
|---|---|
| SMILES | C#CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide (CAS 865181-56-2), with molecular formula C20H12FN3O3S and molecular weight 393.06 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide.
Chemical Property Profile of 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
Property Insights of 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
The XLogP value of 2.1986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide. The TPSA of 71.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide. Following Lipinski's Rule of Five, 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide has 0 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 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide?
The CAS number of 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide is 865181-56-2.
What is the molecular formula of 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide?
The molecular formula of 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide is C20H12FN3O3S.
What is the molecular weight of 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide?
The molecular weight of 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide is 393.06 g/mol.
Where can I buy 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide?
You can request a quote for 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxoisoindol-2-yl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.