5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯
TL;DR: 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯 (CAS 16078-71-0) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯
ethyl 5-amino-1-phenylpyrazole-4-carboxylate
Also Known As: Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate, 5-Amino-4-Carbethoxy-1-Phenylpyrazole, 3-Amino-4-carbethoxy-2-phenylpyrazole, ethyl 5-amino-1-phenylpyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 16078-71-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N |
| InChIKey | AYJIUOZKKTUKKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯 (CAS 16078-71-0), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: ethyl 5-amino-1-phenylpyrazole-4-carboxylate.
Chemical Property Profile of 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯
Property Insights of 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯. Following Lipinski's Rule of Five, 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯 has 1 hydrogen bond donor(s) and 4 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 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯?
The CAS number of 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯 is 16078-71-0.
What is the molecular formula of 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯?
The molecular formula of 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯 is C12H13N3O2.
What is the molecular weight of 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯?
The molecular weight of 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯 is 231.10 g/mol.
Where can I buy 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯?
You can request a quote for 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 5-氨基-1-苯基-1H-吡唑-4-甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.