C118-0497
TL;DR: C118-0497 (CAS 536992-07-1) is a chemical compound with molecular formula C26H23ClN6O2S and molecular weight 518.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: C118-0497, F0576-0949, 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-N-(2-METHOXYPHENYL)-5-METHYL-7-(PYRIDIN-2-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE, 2-((2-chlorobenzyl)thio)-N-(2-methoxyphenyl)-5-methyl-7-(pyridin-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-chlorobenzyl)thio]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C26H23ClN6O2S |
|---|---|
| Molecular Weight | 518.13 g/mol |
| LogP | 5.555 |
| Topological Polar Surface Area | 93.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.12915 |
| Heavy Atoms | 36 |
| Complexity | 1439.3923 |
Chemical Identifiers
| CAS Number | 536992-07-1 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)SCC3=CC=CC=C3Cl)N1)C4=CC=CC=N4)C(=O)NC5=CC=CC=C5OC |
Product Overview
C118-0497 (CAS 536992-07-1), with molecular formula C26H23ClN6O2S and molecular weight 518.13 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of C118-0497
Property Insights of C118-0497
The XLogP value of 5.555 indicates that C118-0497 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 C118-0497. Following Lipinski's Rule of Five, C118-0497 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 C118-0497?
The CAS number of C118-0497 is 536992-07-1.
What is the molecular formula of C118-0497?
The molecular formula of C118-0497 is C26H23ClN6O2S.
What is the molecular weight of C118-0497?
The molecular weight of C118-0497 is 518.13 g/mol.
Where can I buy C118-0497?
You can request a quote for C118-0497 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C118-0497?
Yes, KEHONG BIO provides custom synthesis services for C118-0497 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.