C18H15BrClN5OS
TL;DR: C18H15BrClN5OS (CAS 348587-94-0) is a chemical compound with molecular formula C18H15BrClN5OS and molecular weight 462.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(3-bromophenyl)methylideneamino]-2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: (E)-N'-(3-bromobenzylidene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E)-(3-bromophenyl)methylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
| Molecular Formula | C18H15BrClN5OS |
|---|---|
| Molecular Weight | 462.99 g/mol |
| LogP | 4.1404 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.9869 |
| Heavy Atoms | 27 |
| Complexity | 991.38824 |
Chemical Identifiers
| CAS Number | 348587-94-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=CC=C2)Br)C3=CC(=CC=C3)Cl |
Product Overview
C18H15BrClN5OS (CAS 348587-94-0), with molecular formula C18H15BrClN5OS and molecular weight 462.99 g/mol. IUPAC: N-[(E)-(3-bromophenyl)methylideneamino]-2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of C18H15BrClN5OS
Property Insights of C18H15BrClN5OS
The XLogP value of 4.1404 indicates that C18H15BrClN5OS 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 C18H15BrClN5OS. Following Lipinski's Rule of Five, C18H15BrClN5OS 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 C18H15BrClN5OS?
The CAS number of C18H15BrClN5OS is 348587-94-0.
What is the molecular formula of C18H15BrClN5OS?
The molecular formula of C18H15BrClN5OS is C18H15BrClN5OS.
What is the molecular weight of C18H15BrClN5OS?
The molecular weight of C18H15BrClN5OS is 462.99 g/mol.
Where can I buy C18H15BrClN5OS?
You can request a quote for C18H15BrClN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H15BrClN5OS?
Yes, KEHONG BIO provides custom synthesis services for C18H15BrClN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.