5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole
TL;DR: 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole (CAS 306934-71-4) is a chemical compound with molecular formula C13H16N4S and molecular weight 260.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,4-diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole
Also Known As: 5-(1,4-diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole, N-Boc-L-prolinol, Maybridge1_000443, 1-(3-Phenyl-1,2,4-Thiadiazol-5-Yl)-1,4-Diazepane, SDCCGMLS-0065830.P001
| Molecular Formula | C13H16N4S |
|---|---|
| Molecular Weight | 260.11 g/mol |
| LogP | 2.0048 |
| Topological Polar Surface Area | 41.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.10956 |
| Heavy Atoms | 18 |
| Complexity | 488.70218 |
Chemical Identifiers
| CAS Number | 306934-71-4 |
|---|---|
| SMILES | C1CNCCN(C1)C2=NC(=NS2)C3=CC=CC=C3 |
Product Overview
5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole (CAS 306934-71-4), with molecular formula C13H16N4S and molecular weight 260.11 g/mol. IUPAC: 5-(1,4-diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole.
Chemical Property Profile of 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole
Property Insights of 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole
The XLogP value of 2.0048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole. With a topological polar surface area (TPSA) of 41.05 Ų, 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole 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 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole?
The CAS number of 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole is 306934-71-4.
What is the molecular formula of 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole?
The molecular formula of 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole is C13H16N4S.
What is the molecular weight of 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole?
The molecular weight of 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole is 260.11 g/mol.
Where can I buy 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole?
You can request a quote for 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,4-Diazepan-1-yl)-3-phenyl-1,2,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.