C118-0456
TL;DR: C118-0456 (CAS 536990-96-2) is a chemical compound with molecular formula C26H23FN6OS and molecular weight 486.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: C118-0456, F0576-0838, 2-((2-fluorobenzyl)thio)-5-methyl-7-(pyridin-3-yl)-N-(o-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C26H23FN6OS |
|---|---|
| Molecular Weight | 486.16 g/mol |
| LogP | 5.34052 |
| Topological Polar Surface Area | 84.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.16382 |
| Heavy Atoms | 35 |
| Complexity | 1418.3815 |
Chemical Identifiers
| CAS Number | 536990-96-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC3=NC(=NN3C2C4=CN=CC=C4)SCC5=CC=CC=C5F)C |
Product Overview
C118-0456 (CAS 536990-96-2), with molecular formula C26H23FN6OS and molecular weight 486.16 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of C118-0456
Property Insights of C118-0456
The XLogP value of 5.34052 indicates that C118-0456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.73 Ų falls within the moderate polarity range, balancing permeability and solubility for C118-0456. Following Lipinski's Rule of Five, C118-0456 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C118-0456?
The CAS number of C118-0456 is 536990-96-2.
What is the molecular formula of C118-0456?
The molecular formula of C118-0456 is C26H23FN6OS.
What is the molecular weight of C118-0456?
The molecular weight of C118-0456 is 486.16 g/mol.
Where can I buy C118-0456?
You can request a quote for C118-0456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C118-0456?
Yes, KEHONG BIO provides custom synthesis services for C118-0456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.