![4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide structure](/static/products/6470/647031-48-9.webp)
4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide
TL;DR: 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide (CAS 647031-48-9) is a chemical compound with molecular formula C12H8FN3OS2 and molecular weight 293.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide, 4-fluoro-N-[5-(prop-2-yn-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide, 4-fluoro-N-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide, C12H8FN3OS2
| Molecular Formula | C12H8FN3OS2 |
|---|---|
| Molecular Weight | 293.01 g/mol |
| LogP | 2.6548 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.00928 |
| Heavy Atoms | 19 |
| Complexity | 618.6499 |
Chemical Identifiers
| CAS Number | 647031-48-9 |
|---|---|
| SMILES | C#CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)F |
Product Overview
4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide (CAS 647031-48-9), with molecular formula C12H8FN3OS2 and molecular weight 293.01 g/mol. IUPAC: 4-fluoro-N-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide
Property Insights of 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide
The XLogP value of 2.6548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide. With a topological polar surface area (TPSA) of 54.88 Ų, 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide 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 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide?
The CAS number of 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide is 647031-48-9.
What is the molecular formula of 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide?
The molecular formula of 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide is C12H8FN3OS2.
What is the molecular weight of 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide?
The molecular weight of 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide is 293.01 g/mol.
Where can I buy 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide?
You can request a quote for 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-N-[5-(2-propynylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.