N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
TL;DR: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide (CAS 868376-99-2) is a chemical compound with molecular formula C19H15FN2O2S and molecular weight 354.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
Also Known As: F1816-0128, N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide, N-[(2Z)-4-ethoxy-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-4-fluorobenzamide, (Z)-N-(4-ethoxy-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-4-fluorobenzamide
| Molecular Formula | C19H15FN2O2S |
|---|---|
| Molecular Weight | 354.08 g/mol |
| LogP | 3.6149 |
| Topological Polar Surface Area | 43.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.08383 |
| Heavy Atoms | 25 |
| Complexity | 1026.2441 |
Chemical Identifiers
| CAS Number | 868376-99-2 |
|---|---|
| SMILES | CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)F)N2CC#C |
Product Overview
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide (CAS 868376-99-2), with molecular formula C19H15FN2O2S and molecular weight 354.08 g/mol. IUPAC: N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide.
Chemical Property Profile of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
Property Insights of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
The XLogP value of 3.6149 indicates that N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.59 Ų, N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide has 0 hydrogen bond donor(s) and 3 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 N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The CAS number of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide is 868376-99-2.
What is the molecular formula of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The molecular formula of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide is C19H15FN2O2S.
What is the molecular weight of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The molecular weight of N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide is 354.08 g/mol.
Where can I buy N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
You can request a quote for N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.