![ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE structure](/static/products/1017/1017779-00-8.webp)
ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE
TL;DR: ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE (CAS 1017779-00-8) is a chemical compound with molecular formula C26H39N5O4 and molecular weight 485.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
Also Known As: ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE, ethyl 2-[[[2-[[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate, N-[[[2-[[3-(1,1-Dimethylethyl)-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino]-2-oxoethyl](2-methylpropyl)amino]carbonyl]glycine ethyl ester
| Molecular Formula | C26H39N5O4 |
|---|---|
| Molecular Weight | 485.30 g/mol |
| LogP | 3.95584 |
| Topological Polar Surface Area | 105.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.3002 |
| Heavy Atoms | 35 |
| Complexity | 1052.497 |
Chemical Identifiers
| CAS Number | 1017779-00-8 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)N(CC(C)C)CC(=O)NC1=CC(=NN1C2=C(C=C(C=C2)C)C)C(C)(C)C |
Product Overview
ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE (CAS 1017779-00-8), with molecular formula C26H39N5O4 and molecular weight 485.30 g/mol. IUPAC: ethyl 2-[[[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate.
Chemical Property Profile of ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE
Property Insights of ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE
The XLogP value of 3.95584 indicates that ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE. Following Lipinski's Rule of Five, ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE has 2 hydrogen bond donor(s) and 5 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 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE?
The CAS number of ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE is 1017779-00-8.
What is the molecular formula of ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE?
The molecular formula of ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE is C26H39N5O4.
What is the molecular weight of ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE?
The molecular weight of ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE is 485.30 g/mol.
Where can I buy ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE?
You can request a quote for ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 2-{[({[3-TERT-BUTYL-1-(2,4-DIMETHYLPHENYL)-1H-PYRAZOL-5-YL]CARBAMOYL}METHYL)(2-METHYLPROPYL)CARBAMOYL]AMINO}ACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.