![ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE structure](/static/products/5376/537698-88-7.webp)
ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE
TL;DR: ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE (CAS 537698-88-7) is a chemical compound with molecular formula C26H29N5O5 and molecular weight 491.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino]benzoate
Also Known As: ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE, ethyl 4-({[2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbonyl}amino)benzoate, ethyl 4-[[2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino]benzoate, ethyl 4-(2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamido)benzoate, ethyl 4-[[2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino]benzoate
| Molecular Formula | C26H29N5O5 |
|---|---|
| Molecular Weight | 491.22 g/mol |
| LogP | 3.3159 |
| Topological Polar Surface Area | 127.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 491.21686 |
| Heavy Atoms | 36 |
| Complexity | 1264.882 |
Chemical Identifiers
| CAS Number | 537698-88-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(NC3=NC(=NN3C2C4=CC=C(C=C4)OC)CCCO)C |
Product Overview
ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE (CAS 537698-88-7), with molecular formula C26H29N5O5 and molecular weight 491.22 g/mol. IUPAC: ethyl 4-[[2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl]amino]benzoate.
Chemical Property Profile of ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE
Property Insights of ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE
The XLogP value of 3.3159 indicates that ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE. Following Lipinski's Rule of Five, ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE has 3 hydrogen bond donor(s) and 8 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 ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE?
The CAS number of ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE is 537698-88-7.
What is the molecular formula of ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE?
The molecular formula of ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE is C26H29N5O5.
What is the molecular weight of ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE?
The molecular weight of ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE is 491.22 g/mol.
Where can I buy ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE?
You can request a quote for ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 4-[2-(3-HYDROXYPROPYL)-7-(4-METHOXYPHENYL)-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-AMIDO]BENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.