C17H15BrN4O2S
TL;DR: C17H15BrN4O2S (CAS 613249-32-4) is a chemical compound with molecular formula C17H15BrN4O2S and molecular weight 418.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-bromo-4-methoxybenzylidene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-bromo-4-methoxyphenyl)-1-azavinyl]-5-(3-methoxyphenyl)-1,2,4-tria zole-3-thiol, 4-[(3-bromo-4-methoxy-phenyl)methylideneamino]-5-(3-methoxyphenyl)-2H-1,2,4-triazole-3-thione, 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C17H15BrN4O2S |
|---|---|
| Molecular Weight | 418.01 g/mol |
| LogP | 4.26959 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.00992 |
| Heavy Atoms | 25 |
| Complexity | 980.77435 |
Chemical Identifiers
| CAS Number | 613249-32-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)OC)Br |
Product Overview
C17H15BrN4O2S (CAS 613249-32-4), with molecular formula C17H15BrN4O2S and molecular weight 418.01 g/mol. IUPAC: 4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C17H15BrN4O2S
Property Insights of C17H15BrN4O2S
The XLogP value of 4.26959 indicates that C17H15BrN4O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H15BrN4O2S. Following Lipinski's Rule of Five, C17H15BrN4O2S 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 C17H15BrN4O2S?
The CAS number of C17H15BrN4O2S is 613249-32-4.
What is the molecular formula of C17H15BrN4O2S?
The molecular formula of C17H15BrN4O2S is C17H15BrN4O2S.
What is the molecular weight of C17H15BrN4O2S?
The molecular weight of C17H15BrN4O2S is 418.01 g/mol.
Where can I buy C17H15BrN4O2S?
You can request a quote for C17H15BrN4O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H15BrN4O2S?
Yes, KEHONG BIO provides custom synthesis services for C17H15BrN4O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.