2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide (CAS 392245-04-4) is a chemical compound with molecular formula C9H5F2N3OS2 and molecular weight 272.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-difluoro-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzamide
Also Known As: 2,6-difluoro-N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)benzamide, F0326-1207, 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide, 2,6-difluoro-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzamide, N-(5-mercapto-1,3,4-thiadiazol-2-yl)2,6-difluorobenzamide
| Molecular Formula | C9H5F2N3OS2 |
|---|---|
| Molecular Weight | 272.98 g/mol |
| LogP | 2.73119 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.98422 |
| Heavy Atoms | 17 |
| Complexity | 602.44867 |
Chemical Identifiers
| CAS Number | 392245-04-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)NC2=NNC(=S)S2)F |
Product Overview
2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide (CAS 392245-04-4), with molecular formula C9H5F2N3OS2 and molecular weight 272.98 g/mol. IUPAC: 2,6-difluoro-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzamide.
Chemical Property Profile of 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 2.73119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide. With a topological polar surface area (TPSA) of 57.78 Ų, 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide has 2 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 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide is 392245-04-4.
What is the molecular formula of 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide is C9H5F2N3OS2.
What is the molecular weight of 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide is 272.98 g/mol.
Where can I buy 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-difluoro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.