5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole
TL;DR: 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole (CAS 438540-26-2) is a chemical compound with molecular formula C15H13FN2S and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole
Also Known As: 5-benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole, 2-(4-fluorophenyl)-5-benzyl-1,3,4-thiadiazoline
| Molecular Formula | C15H13FN2S |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.7169 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.07834 |
| Heavy Atoms | 19 |
| Complexity | 580.8544 |
Chemical Identifiers
| CAS Number | 438540-26-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NNC(S2)C3=CC=C(C=C3)F |
Product Overview
5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole (CAS 438540-26-2), with molecular formula C15H13FN2S and molecular weight 272.08 g/mol. IUPAC: 5-benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole.
Chemical Property Profile of 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole
Property Insights of 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole
The XLogP value of 3.7169 indicates that 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole has 1 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 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole?
The CAS number of 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole is 438540-26-2.
What is the molecular formula of 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole?
The molecular formula of 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole is C15H13FN2S.
What is the molecular weight of 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole?
The molecular weight of 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole is 272.08 g/mol.
Where can I buy 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole?
You can request a quote for 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-2-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.