mPGES1-IN-9
TL;DR: mPGES1-IN-9 (CAS 556033-92-2) is a chemical compound with molecular formula C25H18N4OS and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
Also Known As: mPGES1-IN-9, 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
| Molecular Formula | C25H18N4OS |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 5.6619 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.12012 |
| Heavy Atoms | 31 |
| Complexity | 1350.1152 |
Chemical Identifiers
| CAS Number | 556033-92-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)C3=CNC4=CC=CC=C43)C5=CC=CC=C5 |
Product Overview
mPGES1-IN-9 (CAS 556033-92-2), with molecular formula C25H18N4OS and molecular weight 422.12 g/mol. IUPAC: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone.
Chemical Property Profile of mPGES1-IN-9
Property Insights of mPGES1-IN-9
The XLogP value of 5.6619 indicates that mPGES1-IN-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for mPGES1-IN-9. Following Lipinski's Rule of Five, mPGES1-IN-9 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of mPGES1-IN-9?
The CAS number of mPGES1-IN-9 is 556033-92-2.
What is the molecular formula of mPGES1-IN-9?
The molecular formula of mPGES1-IN-9 is C25H18N4OS.
What is the molecular weight of mPGES1-IN-9?
The molecular weight of mPGES1-IN-9 is 422.12 g/mol.
Where can I buy mPGES1-IN-9?
You can request a quote for mPGES1-IN-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for mPGES1-IN-9?
Yes, KEHONG BIO provides custom synthesis services for mPGES1-IN-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.