N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
TL;DR: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide (CAS 866154-64-5) is a chemical compound with molecular formula C13H13F2N3OS and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
Also Known As: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide, N-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzenecarboxamide
| Molecular Formula | C13H13F2N3OS |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 3.3661 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.07474 |
| Heavy Atoms | 20 |
| Complexity | 649.3061 |
Chemical Identifiers
| CAS Number | 866154-64-5 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)F)F |
Product Overview
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide (CAS 866154-64-5), with molecular formula C13H13F2N3OS and molecular weight 297.07 g/mol. IUPAC: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide.
Chemical Property Profile of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
Property Insights of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
The XLogP value of 3.3661 indicates that N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide 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 N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide?
The CAS number of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide is 866154-64-5.
What is the molecular formula of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide?
The molecular formula of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide is C13H13F2N3OS.
What is the molecular weight of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide?
The molecular weight of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide is 297.07 g/mol.
Where can I buy N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide?
You can request a quote for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.