C118-0505
TL;DR: C118-0505 (CAS 536992-15-1) is a chemical compound with molecular formula C25H21ClN6OS and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: C118-0505, 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-(pyridin-4-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, F0576-0957, 2-((2-chlorobenzyl)thio)-5-methyl-N-phenyl-7-(pyridin-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-N-phenyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C25H21ClN6OS |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 5.5464 |
| Topological Polar Surface Area | 84.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.11862 |
| Heavy Atoms | 34 |
| Complexity | 1356.3556 |
Chemical Identifiers
| CAS Number | 536992-15-1 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)SCC3=CC=CC=C3Cl)N1)C4=CC=NC=C4)C(=O)NC5=CC=CC=C5 |
Product Overview
C118-0505 (CAS 536992-15-1), with molecular formula C25H21ClN6OS and molecular weight 488.12 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of C118-0505
Property Insights of C118-0505
The XLogP value of 5.5464 indicates that C118-0505 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 C118-0505. Following Lipinski's Rule of Five, C118-0505 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 C118-0505?
The CAS number of C118-0505 is 536992-15-1.
What is the molecular formula of C118-0505?
The molecular formula of C118-0505 is C25H21ClN6OS.
What is the molecular weight of C118-0505?
The molecular weight of C118-0505 is 488.12 g/mol.
Where can I buy C118-0505?
You can request a quote for C118-0505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C118-0505?
Yes, KEHONG BIO provides custom synthesis services for C118-0505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.