![dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate structure](/static/products/4924/492456-38-9.webp)
dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate
TL;DR: dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate (CAS 492456-38-9) is a chemical compound with molecular formula C16H16BrN3O5 and molecular weight 409.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate, dimethyl 2-(4-bromo-1-ethyl-1H-pyrazole-5-carboxamido)terephthalate, dimethyl 2-[(4-bromo-2-ethylpyrazole-3-carbonyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzene-1,4-dicarboxylate
| Molecular Formula | C16H16BrN3O5 |
|---|---|
| Molecular Weight | 409.03 g/mol |
| LogP | 2.491 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.02734 |
| Heavy Atoms | 25 |
| Complexity | 831.17285 |
Chemical Identifiers
| CAS Number | 492456-38-9 |
|---|---|
| SMILES | CCN1C(=C(C=N1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate (CAS 492456-38-9), with molecular formula C16H16BrN3O5 and molecular weight 409.03 g/mol. IUPAC: dimethyl 2-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate
Property Insights of dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate
The XLogP value of 2.491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate. Following Lipinski's Rule of Five, dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-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-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate?
The CAS number of dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate is 492456-38-9.
What is the molecular formula of dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate?
The molecular formula of dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate is C16H16BrN3O5.
What is the molecular weight of dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate?
The molecular weight of dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate is 409.03 g/mol.
Where can I buy dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate?
You can request a quote for dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-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-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.