![2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE structure](/static/products/5369/536991-93-2.webp)
2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE
TL;DR: 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE (CAS 536991-93-2) is a chemical compound with molecular formula C27H25ClN6O3S and molecular weight 548.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-7-(3,4-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE, F0576-0935, 2-((2-chlorobenzyl)thio)-7-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-chlorophenyl)methylsulfanyl]-7-(3,4-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide, 2-[(2-chlorophenyl)methylsulfanyl]-7-(3,4-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C27H25ClN6O3S |
|---|---|
| Molecular Weight | 548.14 g/mol |
| LogP | 5.5636 |
| Topological Polar Surface Area | 103.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.1397 |
| Heavy Atoms | 38 |
| Complexity | 1507.951 |
Chemical Identifiers
| CAS Number | 536991-93-2 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC(=N2)SCC3=CC=CC=C3Cl)N1)C4=CC(=C(C=C4)OC)OC)C(=O)NC5=CN=CC=C5 |
Product Overview
2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE (CAS 536991-93-2), with molecular formula C27H25ClN6O3S and molecular weight 548.14 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-7-(3,4-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE
Property Insights of 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE
The XLogP value of 5.5636 indicates that 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE. Following Lipinski's Rule of Five, 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE?
The CAS number of 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE is 536991-93-2.
What is the molecular formula of 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE?
The molecular formula of 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE is C27H25ClN6O3S.
What is the molecular weight of 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE?
The molecular weight of 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE is 548.14 g/mol.
Where can I buy 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE?
You can request a quote for 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-7-(3,4-DIMETHOXYPHENYL)-5-METHYL-N-(PYRIDIN-3-YL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXAMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.