C118-0506
TL;DR: C118-0506 (CAS 536992-16-2) is a chemical compound with molecular formula C26H23ClN6OS and molecular weight 502.13 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-(2-methylphenyl)-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: C118-0506, F0576-0958, 2-((2-chlorobenzyl)thio)-5-methyl-7-(pyridin-4-yl)-N-(o-tolyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-5-METHYL-N-(2-METHYLPHENYL)-7-(PYRIDIN-4-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE, 2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C26H23ClN6OS |
|---|---|
| Molecular Weight | 502.13 g/mol |
| LogP | 5.85482 |
| Topological Polar Surface Area | 84.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.13425 |
| Heavy Atoms | 35 |
| Complexity | 1418.3815 |
Chemical Identifiers
| CAS Number | 536992-16-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC3=NC(=NN3C2C4=CC=NC=C4)SCC5=CC=CC=C5Cl)C |
Product Overview
C118-0506 (CAS 536992-16-2), with molecular formula C26H23ClN6OS and molecular weight 502.13 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of C118-0506
Property Insights of C118-0506
The XLogP value of 5.85482 indicates that C118-0506 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 C118-0506. Following Lipinski's Rule of Five, C118-0506 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 C118-0506?
The CAS number of C118-0506 is 536992-16-2.
What is the molecular formula of C118-0506?
The molecular formula of C118-0506 is C26H23ClN6OS.
What is the molecular weight of C118-0506?
The molecular weight of C118-0506 is 502.13 g/mol.
Where can I buy C118-0506?
You can request a quote for C118-0506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C118-0506?
Yes, KEHONG BIO provides custom synthesis services for C118-0506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.