![4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide structure](/static/products/5960/5960-51-0.webp)
4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
TL;DR: 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide (CAS 5960-51-0) is a chemical compound with molecular formula C22H24FN5OS and molecular weight 425.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Also Known As: 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide, 4-{3-[(4-Fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
| Molecular Formula | C22H24FN5OS |
|---|---|
| Molecular Weight | 425.17 g/mol |
| LogP | 4.32062 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.16855 |
| Heavy Atoms | 30 |
| Complexity | 1006.77234 |
Chemical Identifiers
| CAS Number | 5960-51-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=C(C=C4)F |
Product Overview
4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide (CAS 5960-51-0), with molecular formula C22H24FN5OS and molecular weight 425.17 g/mol. IUPAC: 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide.
Chemical Property Profile of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Property Insights of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
The XLogP value of 4.32062 indicates that 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide. Following Lipinski's Rule of Five, 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide 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 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide?
The CAS number of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide is 5960-51-0.
What is the molecular formula of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide?
The molecular formula of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide is C22H24FN5OS.
What is the molecular weight of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide?
The molecular weight of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide is 425.17 g/mol.
Where can I buy 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide?
You can request a quote for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.