G865-0013
TL;DR: G865-0013 (CAS 537703-19-8) is a chemical compound with molecular formula C23H18BrN3OS and molecular weight 463.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: G865-0013, F1252-0101, 2-((5-(4-bromophenyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-[[5-(4-bromophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-[[5-(4-bromophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone
| Molecular Formula | C23H18BrN3OS |
|---|---|
| Molecular Weight | 463.04 g/mol |
| LogP | 5.98022 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.0354 |
| Heavy Atoms | 29 |
| Complexity | 1140.5189 |
Chemical Identifiers
| CAS Number | 537703-19-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Br |
Product Overview
G865-0013 (CAS 537703-19-8), with molecular formula C23H18BrN3OS and molecular weight 463.04 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of G865-0013
Property Insights of G865-0013
The XLogP value of 5.98022 indicates that G865-0013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, G865-0013 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, G865-0013 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of G865-0013?
The CAS number of G865-0013 is 537703-19-8.
What is the molecular formula of G865-0013?
The molecular formula of G865-0013 is C23H18BrN3OS.
What is the molecular weight of G865-0013?
The molecular weight of G865-0013 is 463.04 g/mol.
Where can I buy G865-0013?
You can request a quote for G865-0013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G865-0013?
Yes, KEHONG BIO provides custom synthesis services for G865-0013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.