N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide
TL;DR: N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide (CAS 391875-38-0) is a chemical compound with molecular formula C13H13ClFN3OS2 and molecular weight 345.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide
Also Known As: F0470-0395, N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide, N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide, N-[5-(butan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-chloro-6-fluorobenzamide, N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]2-chloro-6-fluorobenzamide
| Molecular Formula | C13H13ClFN3OS2 |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | 4.4735 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.01727 |
| Heavy Atoms | 21 |
| Complexity | 629.8467 |
Chemical Identifiers
| CAS Number | 391875-38-0 |
|---|---|
| SMILES | CCC(C)SC1=NN=C(S1)NC(=O)C2=C(C=CC=C2Cl)F |
Product Overview
N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide (CAS 391875-38-0), with molecular formula C13H13ClFN3OS2 and molecular weight 345.02 g/mol. IUPAC: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide.
Chemical Property Profile of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide
Property Insights of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide
The XLogP value of 4.4735 indicates that N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide 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-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide has 1 hydrogen bond donor(s) and 5 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-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide?
The CAS number of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide is 391875-38-0.
What is the molecular formula of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide?
The molecular formula of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide is C13H13ClFN3OS2.
What is the molecular weight of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide?
The molecular weight of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide is 345.02 g/mol.
Where can I buy N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide?
You can request a quote for N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-2-chloro-6-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.