C118-0457
TL;DR: C118-0457 (CAS 536990-97-3) is a chemical compound with molecular formula C26H23FN6O2S and molecular weight 502.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: C118-0457, F0576-0839, 2-((2-fluorobenzyl)thio)-N-(2-methoxyphenyl)-5-methyl-7-(pyridin-3-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-fluorobenzyl)thio]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C26H23FN6O2S |
|---|---|
| Molecular Weight | 502.16 g/mol |
| LogP | 5.0407 |
| Topological Polar Surface Area | 93.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.15872 |
| Heavy Atoms | 36 |
| Complexity | 1439.3923 |
Chemical Identifiers
| CAS Number | 536990-97-3 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)SCC3=CC=CC=C3F)N1)C4=CN=CC=C4)C(=O)NC5=CC=CC=C5OC |
Product Overview
C118-0457 (CAS 536990-97-3), with molecular formula C26H23FN6O2S and molecular weight 502.16 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of C118-0457
Property Insights of C118-0457
The XLogP value of 5.0407 indicates that C118-0457 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.96 Ų falls within the moderate polarity range, balancing permeability and solubility for C118-0457. Following Lipinski's Rule of Five, C118-0457 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C118-0457?
The CAS number of C118-0457 is 536990-97-3.
What is the molecular formula of C118-0457?
The molecular formula of C118-0457 is C26H23FN6O2S.
What is the molecular weight of C118-0457?
The molecular weight of C118-0457 is 502.16 g/mol.
Where can I buy C118-0457?
You can request a quote for C118-0457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C118-0457?
Yes, KEHONG BIO provides custom synthesis services for C118-0457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.