F1816-1181
TL;DR: F1816-1181 (CAS 868674-72-0) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 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-(2,5-dioxopyrrolidin-1-yl)acetamide
Also Known As: F1816-1181, N-[(2Z)-5,7-dimethyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-(2,5-dioxopyrrolidin-1-yl)acetamide, (Z)-N-(5,7-dimethyl-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-2-(2,5-dioxopyrrolidin-1-yl)acetamide, N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 1.52914 |
| Topological Polar Surface Area | 71.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 990.9684 |
Chemical Identifiers
| CAS Number | 868674-72-0 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)N(C(=NC(=O)CN3C(=O)CCC3=O)S2)CC#C)C |
Product Overview
F1816-1181 (CAS 868674-72-0), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
Chemical Property Profile of F1816-1181
Property Insights of F1816-1181
The XLogP value of 1.52914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1816-1181. The TPSA of 71.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F1816-1181. Following Lipinski's Rule of Five, F1816-1181 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 F1816-1181?
The CAS number of F1816-1181 is 868674-72-0.
What is the molecular formula of F1816-1181?
The molecular formula of F1816-1181 is C18H17N3O3S.
What is the molecular weight of F1816-1181?
The molecular weight of F1816-1181 is 355.10 g/mol.
Where can I buy F1816-1181?
You can request a quote for F1816-1181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1816-1181?
Yes, KEHONG BIO provides custom synthesis services for F1816-1181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.