![dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate structure](/static/products/5151/515121-09-2.webp)
dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate
TL;DR: dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate (CAS 515121-09-2) is a chemical compound with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate, Dimethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-(1-ethyl-1H-pyrazole-4-carboxamido)terephthalate, methyl 3-[(1-ethylpyrazol-4-yl)carbonylamino]-4-(methoxycarbonyl)benzoate, dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}benzene-1,4-dicarboxylate
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 1.7285 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 781.77014 |
Chemical Identifiers
| CAS Number | 515121-09-2 |
|---|---|
| SMILES | CCN1C=C(C=N1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate (CAS 515121-09-2), with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol. IUPAC: dimethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate
Property Insights of dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate
The XLogP value of 1.7285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate. Following Lipinski's Rule of Five, dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate has 1 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 dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate?
The CAS number of dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate is 515121-09-2.
What is the molecular formula of dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate?
The molecular formula of dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate is C16H17N3O5.
What is the molecular weight of dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate?
The molecular weight of dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate is 331.12 g/mol.
Where can I buy dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate?
You can request a quote for dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.