F1816-0725
TL;DR: F1816-0725 (CAS 868674-16-2) is a chemical compound with molecular formula C21H14ClN3O3S and molecular weight 423.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
Also Known As: F1816-0725, N-[(2Z)-4-chloro-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-(2,5-dioxopyrrolidin-1-yl)benzamide, N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2,5-dioxopyrrolidin-1-yl)benzamide, (Z)-N-(4-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
| Molecular Formula | C21H14ClN3O3S |
|---|---|
| Molecular Weight | 423.04 g/mol |
| LogP | 3.3839 |
| Topological Polar Surface Area | 71.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.04443 |
| Heavy Atoms | 29 |
| Complexity | 1266.2987 |
Chemical Identifiers
| CAS Number | 868674-16-2 |
|---|---|
| SMILES | C#CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O |
Product Overview
F1816-0725 (CAS 868674-16-2), with molecular formula C21H14ClN3O3S and molecular weight 423.04 g/mol. IUPAC: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
Chemical Property Profile of F1816-0725
Property Insights of F1816-0725
The XLogP value of 3.3839 indicates that F1816-0725 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F1816-0725. Following Lipinski's Rule of Five, F1816-0725 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 F1816-0725?
The CAS number of F1816-0725 is 868674-16-2.
What is the molecular formula of F1816-0725?
The molecular formula of F1816-0725 is C21H14ClN3O3S.
What is the molecular weight of F1816-0725?
The molecular weight of F1816-0725 is 423.04 g/mol.
Where can I buy F1816-0725?
You can request a quote for F1816-0725 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1816-0725?
Yes, KEHONG BIO provides custom synthesis services for F1816-0725 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.