C20H20BrN5OS
TL;DR: C20H20BrN5OS (CAS 348103-03-7) is a chemical compound with molecular formula C20H20BrN5OS and molecular weight 457.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
Also Known As: (E)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-(p-tolyl)ethylidene)acetohydrazide, 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(4-methylphenyl)ethylidene]acetohydrazide
| Molecular Formula | C20H20BrN5OS |
|---|---|
| Molecular Weight | 457.06 g/mol |
| LogP | 4.18552 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.0572 |
| Heavy Atoms | 28 |
| Complexity | 996.4404 |
Chemical Identifiers
| CAS Number | 348103-03-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=N/NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Br)/C |
Product Overview
C20H20BrN5OS (CAS 348103-03-7), with molecular formula C20H20BrN5OS and molecular weight 457.06 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide.
Chemical Property Profile of C20H20BrN5OS
Property Insights of C20H20BrN5OS
The XLogP value of 4.18552 indicates that C20H20BrN5OS 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 C20H20BrN5OS. Following Lipinski's Rule of Five, C20H20BrN5OS 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 C20H20BrN5OS?
The CAS number of C20H20BrN5OS is 348103-03-7.
What is the molecular formula of C20H20BrN5OS?
The molecular formula of C20H20BrN5OS is C20H20BrN5OS.
What is the molecular weight of C20H20BrN5OS?
The molecular weight of C20H20BrN5OS is 457.06 g/mol.
Where can I buy C20H20BrN5OS?
You can request a quote for C20H20BrN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H20BrN5OS?
Yes, KEHONG BIO provides custom synthesis services for C20H20BrN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.