C18H17BrN6OS
TL;DR: C18H17BrN6OS (CAS 348100-43-6) is a chemical compound with molecular formula C18H17BrN6OS and molecular weight 444.04 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)-(6-methyl-2-pyridinyl)methylideneamino]acetamide
Also Known As: (E)-2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-((6-methylpyridin-2-yl)methylene)acetohydrazide, 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
| Molecular Formula | C18H17BrN6OS |
|---|---|
| Molecular Weight | 444.04 g/mol |
| LogP | 3.19042 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.0368 |
| Heavy Atoms | 27 |
| Complexity | 970.2381 |
Chemical Identifiers
| CAS Number | 348100-43-6 |
|---|---|
| SMILES | CC1=NC(=CC=C1)/C=N/NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Br |
Product Overview
C18H17BrN6OS (CAS 348100-43-6), with molecular formula C18H17BrN6OS and molecular weight 444.04 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide.
Chemical Property Profile of C18H17BrN6OS
Property Insights of C18H17BrN6OS
The XLogP value of 3.19042 indicates that C18H17BrN6OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.06 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H17BrN6OS. Following Lipinski's Rule of Five, C18H17BrN6OS has 1 hydrogen bond donor(s) and 6 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 C18H17BrN6OS?
The CAS number of C18H17BrN6OS is 348100-43-6.
What is the molecular formula of C18H17BrN6OS?
The molecular formula of C18H17BrN6OS is C18H17BrN6OS.
What is the molecular weight of C18H17BrN6OS?
The molecular weight of C18H17BrN6OS is 444.04 g/mol.
Where can I buy C18H17BrN6OS?
You can request a quote for C18H17BrN6OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17BrN6OS?
Yes, KEHONG BIO provides custom synthesis services for C18H17BrN6OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.