![1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one structure](/static/products/4431/443110-99-4.webp)
1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
TL;DR: 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one (CAS 443110-99-4) is a chemical compound with molecular formula C11H10FN3OS and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
Also Known As: 1-[5-(4-fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one, BB 0242488, 1-{5-[(4-fluorophenyl)amino]-1,2,4-thiadiazol-3-yl}propan-2-one, 5-amino-1-(2-phenylethyl)pyrazole-4-carboxylic acid, 1-{5-[(4-fluorophenyl)amino]-1,2,4-thiadiazol-3-yl}acetone
| Molecular Formula | C11H10FN3OS |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 2.5523 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.05286 |
| Heavy Atoms | 17 |
| Complexity | 523.76776 |
Chemical Identifiers
| CAS Number | 443110-99-4 |
|---|---|
| SMILES | CC(=O)CC1=NSC(=N1)NC2=CC=C(C=C2)F |
Product Overview
1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one (CAS 443110-99-4), with molecular formula C11H10FN3OS and molecular weight 251.05 g/mol. IUPAC: 1-[5-(4-fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one.
Chemical Property Profile of 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
Property Insights of 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
The XLogP value of 2.5523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one. With a topological polar surface area (TPSA) of 54.88 Ų, 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one has 1 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 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The CAS number of 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one is 443110-99-4.
What is the molecular formula of 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The molecular formula of 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one is C11H10FN3OS.
What is the molecular weight of 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one?
The molecular weight of 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one is 251.05 g/mol.
Where can I buy 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one?
You can request a quote for 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(4-Fluoroanilino)-1,2,4-thiadiazol-3-yl]propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.