1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one
TL;DR: 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one (CAS 401-58-1) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone
Also Known As: Ethyl iodofluoroacetate, 1- -ETHANONE, 1-(5-Amino-2-phenyl-[1,3,4]thiadiazol-3-yl)-ethanone, 1-(5-amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethanone, BAS 01968148
| Molecular Formula | C10H11N3OS |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 1.5102 |
| Topological Polar Surface Area | 58.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.06229 |
| Heavy Atoms | 15 |
| Complexity | 404.38834 |
Chemical Identifiers
| CAS Number | 401-58-1 |
|---|---|
| SMILES | CC(=O)N1C(SC(=N1)N)C2=CC=CC=C2 |
Product Overview
1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one (CAS 401-58-1), with molecular formula C10H11N3OS and molecular weight 221.06 g/mol. IUPAC: 1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone.
Chemical Property Profile of 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one
Property Insights of 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one
The XLogP value of 1.5102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one. With a topological polar surface area (TPSA) of 58.69 Ų, 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one has 1 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 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one?
The CAS number of 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one is 401-58-1.
What is the molecular formula of 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one?
The molecular formula of 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one is C10H11N3OS.
What is the molecular weight of 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one?
The molecular weight of 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one is 221.06 g/mol.
Where can I buy 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one?
You can request a quote for 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-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-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Amino-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.