![methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate structure](/static/products/727/727367-47-7.png)
methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate
TL;DR: methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate (CAS 727367-47-7) is a chemical compound with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate
Also Known As: methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate, methyl 4-[5-methyl-6-(phenylcarbamoyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate, methyl 4-[5-methyl-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate, methyl 4-[6-(anilinocarbonyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate
| Molecular Formula | C21H19N5O3 |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 2.9923 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.1488 |
| Heavy Atoms | 29 |
| Complexity | 1087.019 |
Chemical Identifiers
| CAS Number | 727367-47-7 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC=N2)N1)C3=CC=C(C=C3)C(=O)OC)C(=O)NC4=CC=CC=C4 |
Product Overview
methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate (CAS 727367-47-7), with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol. IUPAC: methyl 4-[5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate.
Chemical Property Profile of methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate
Property Insights of methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate
The XLogP value of 2.9923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate?
The CAS number of methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate is 727367-47-7.
What is the molecular formula of methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate?
The molecular formula of methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate is C21H19N5O3.
What is the molecular weight of methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate?
The molecular weight of methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate is 389.15 g/mol.
Where can I buy methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate?
You can request a quote for methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(5-methyl-6-(phenylcarbamoyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.