1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone
TL;DR: 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone (CAS 125488-07-5) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone
Also Known As: 1-(4-methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone, J2.534.003E, AQ-349/42302536, 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)ethan-1-one, 4 -Methyl-alpha-(5-methyl-1,3,4-thiadiazole-2-yl)acetophenone
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.58034 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 501.99225 |
Chemical Identifiers
| CAS Number | 125488-07-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC2=NN=C(S2)C |
Product Overview
1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone (CAS 125488-07-5), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: 1-(4-methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone.
Chemical Property Profile of 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone
Property Insights of 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone
The XLogP value of 2.58034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone. With a topological polar surface area (TPSA) of 42.85 Ų, 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone 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 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone?
The CAS number of 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone is 125488-07-5.
What is the molecular formula of 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone?
The molecular formula of 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone is C12H12N2OS.
What is the molecular weight of 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone?
The molecular weight of 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone is 232.07 g/mol.
Where can I buy 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone?
You can request a quote for 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.