C21H22BrN5OS
TL;DR: C21H22BrN5OS (CAS 348101-91-7) is a chemical compound with molecular formula C21H22BrN5OS and molecular weight 471.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylbutylideneamino]acetamide
Also Known As: (E)-2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutylidene)acetohydrazide, 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylbutylideneamino)acetamide, 2-{[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-phenylbutylidene]acetohydrazide
| Molecular Formula | C21H22BrN5OS |
|---|---|
| Molecular Weight | 471.07 g/mol |
| LogP | 4.6573 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.07285 |
| Heavy Atoms | 29 |
| Complexity | 1003.31586 |
Chemical Identifiers
| CAS Number | 348101-91-7 |
|---|---|
| SMILES | CCC/C(=N\NC(=O)CSC1=NN=C(N1C)C2=CC(=CC=C2)Br)/C3=CC=CC=C3 |
Product Overview
C21H22BrN5OS (CAS 348101-91-7), with molecular formula C21H22BrN5OS and molecular weight 471.07 g/mol. IUPAC: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylbutylideneamino]acetamide.
Chemical Property Profile of C21H22BrN5OS
Property Insights of C21H22BrN5OS
The XLogP value of 4.6573 indicates that C21H22BrN5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H22BrN5OS. Following Lipinski's Rule of Five, C21H22BrN5OS 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 C21H22BrN5OS?
The CAS number of C21H22BrN5OS is 348101-91-7.
What is the molecular formula of C21H22BrN5OS?
The molecular formula of C21H22BrN5OS is C21H22BrN5OS.
What is the molecular weight of C21H22BrN5OS?
The molecular weight of C21H22BrN5OS is 471.07 g/mol.
Where can I buy C21H22BrN5OS?
You can request a quote for C21H22BrN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H22BrN5OS?
Yes, KEHONG BIO provides custom synthesis services for C21H22BrN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.