F1816-0653
TL;DR: F1816-0653 (CAS 868378-06-7) is a chemical compound with molecular formula C22H17N3O3S and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxoisoindol-2-yl)acetamide
Also Known As: F1816-0653, N-[(2Z)-5,7-dimethyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide, (Z)-N-(5,7-dimethyl-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-2-(1,3-dioxoisoindolin-2-yl)acetamide, N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxoisoindol-2-yl)acetamide
| Molecular Formula | C22H17N3O3S |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 2.67634 |
| Topological Polar Surface Area | 71.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.09906 |
| Heavy Atoms | 29 |
| Complexity | 1272.0642 |
Chemical Identifiers
| CAS Number | 868378-06-7 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)N(C(=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)S2)CC#C)C |
Product Overview
F1816-0653 (CAS 868378-06-7), with molecular formula C22H17N3O3S and molecular weight 403.10 g/mol. IUPAC: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(1,3-dioxoisoindol-2-yl)acetamide.
Chemical Property Profile of F1816-0653
Property Insights of F1816-0653
The XLogP value of 2.67634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1816-0653. The TPSA of 71.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F1816-0653. Following Lipinski's Rule of Five, F1816-0653 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 F1816-0653?
The CAS number of F1816-0653 is 868378-06-7.
What is the molecular formula of F1816-0653?
The molecular formula of F1816-0653 is C22H17N3O3S.
What is the molecular weight of F1816-0653?
The molecular weight of F1816-0653 is 403.10 g/mol.
Where can I buy F1816-0653?
You can request a quote for F1816-0653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1816-0653?
Yes, KEHONG BIO provides custom synthesis services for F1816-0653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.