N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide
TL;DR: N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide (CAS 476464-75-2) is a chemical compound with molecular formula C19H18FN3O2S2 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide
Also Known As: F0529-0571, N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide, N-(5-{[(3-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-(propan-2-yloxy)benzamide, N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide
| Molecular Formula | C19H18FN3O2S2 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 5.009 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.08246 |
| Heavy Atoms | 27 |
| Complexity | 913.32806 |
Chemical Identifiers
| CAS Number | 476464-75-2 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)F |
Product Overview
N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide (CAS 476464-75-2), with molecular formula C19H18FN3O2S2 and molecular weight 403.08 g/mol. IUPAC: N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide.
Chemical Property Profile of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide
Property Insights of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide
The XLogP value of 5.009 indicates that N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide. Following Lipinski's Rule of Five, N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide?
The CAS number of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide is 476464-75-2.
What is the molecular formula of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide?
The molecular formula of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide is C19H18FN3O2S2.
What is the molecular weight of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide?
The molecular weight of N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide is 403.08 g/mol.
Where can I buy N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide?
You can request a quote for N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-isopropoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.