F1816-1187
TL;DR: F1816-1187 (CAS 868674-76-4) is a chemical compound with molecular formula C16H12ClN3O3S and molecular weight 361.03 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)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
Also Known As: F1816-1187, N-[(2Z)-4-chloro-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-(2,5-dioxopyrrolidin-1-yl)acetamide, N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2,5-dioxopyrrolidin-1-yl)acetamide, (Z)-N-(4-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-2-(2,5-dioxopyrrolidin-1-yl)acetamide, 1-{2-[(Z)-4-chloro-3-(2-propynyl)-2,3-dihydro-1,3-benzothiazolidin-2-ylideneamino]-2-oxoethyl}-2,5-pyrrolidinedione
| Molecular Formula | C16H12ClN3O3S |
|---|---|
| Molecular Weight | 361.03 g/mol |
| LogP | 1.5657 |
| Topological Polar Surface Area | 71.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.02878 |
| Heavy Atoms | 24 |
| Complexity | 951.08344 |
Chemical Identifiers
| CAS Number | 868674-76-4 |
|---|---|
| SMILES | C#CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)CN3C(=O)CCC3=O |
Product Overview
F1816-1187 (CAS 868674-76-4), with molecular formula C16H12ClN3O3S and molecular weight 361.03 g/mol. IUPAC: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
Chemical Property Profile of F1816-1187
Property Insights of F1816-1187
The XLogP value of 1.5657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1816-1187. The TPSA of 71.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F1816-1187. Following Lipinski's Rule of Five, F1816-1187 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 F1816-1187?
The CAS number of F1816-1187 is 868674-76-4.
What is the molecular formula of F1816-1187?
The molecular formula of F1816-1187 is C16H12ClN3O3S.
What is the molecular weight of F1816-1187?
The molecular weight of F1816-1187 is 361.03 g/mol.
Where can I buy F1816-1187?
You can request a quote for F1816-1187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1816-1187?
Yes, KEHONG BIO provides custom synthesis services for F1816-1187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.