F1816-0721
TL;DR: F1816-0721 (CAS 868674-13-9) is a chemical compound with molecular formula C22H17N3O4S and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: F1816-0721, 3-(2,5-dioxopyrrolidin-1-yl)-N-[(2Z)-4-methoxy-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, (Z)-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)benzamide, 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide, 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-prop-2-ynyl-benzothiazol-2-ylidene)benzamide
| Molecular Formula | C22H17N3O4S |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 2.7391 |
| Topological Polar Surface Area | 80.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.09396 |
| Heavy Atoms | 30 |
| Complexity | 1279.6903 |
Chemical Identifiers
| CAS Number | 868674-13-9 |
|---|---|
| SMILES | COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O)N2CC#C |
Product Overview
F1816-0721 (CAS 868674-13-9), with molecular formula C22H17N3O4S and molecular weight 419.09 g/mol. IUPAC: 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of F1816-0721
Property Insights of F1816-0721
The XLogP value of 2.7391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1816-0721. The TPSA of 80.97 Ų falls within the moderate polarity range, balancing permeability and solubility for F1816-0721. Following Lipinski's Rule of Five, F1816-0721 has 0 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 F1816-0721?
The CAS number of F1816-0721 is 868674-13-9.
What is the molecular formula of F1816-0721?
The molecular formula of F1816-0721 is C22H17N3O4S.
What is the molecular weight of F1816-0721?
The molecular weight of F1816-0721 is 419.09 g/mol.
Where can I buy F1816-0721?
You can request a quote for F1816-0721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1816-0721?
Yes, KEHONG BIO provides custom synthesis services for F1816-0721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.