Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1)
TL;DR: Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1) (CAS 82464-70-8) is a chemical compound with molecular formula C31H39N7O5 and molecular weight 589.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one;2-ethoxybenzamide;1,3,7-trimethylpurine-2,6-dione
Also Known As: Ro 04-7683, Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1), Benzamide, 2-ethoxy-, mixt. with 1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-3H-pyrazol-3-one and 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione hydrate (3:5:1), 1,5-Dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one; 2-ethoxybenzamide;1,3,7-trimethylpurine-2,6-dione, 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one; 2-ethoxybenzamide; 1,3,7-trimethylpurine-2,6-dione
| Molecular Formula | C31H39N7O5 |
|---|---|
| Molecular Weight | 589.30 g/mol |
| LogP | 2.76 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 589.3013 |
| Heavy Atoms | 43 |
| Complexity | 792.0 |
Chemical Identifiers
| CAS Number | 82464-70-8 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)N.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | DVULLFCASSYCQU-UHFFFAOYSA-N |
Product Overview
Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1) (CAS 82464-70-8), with molecular formula C31H39N7O5 and molecular weight 589.30 g/mol. IUPAC: 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one;2-ethoxybenzamide;1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1)
Property Insights of Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1)
The XLogP value of 2.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1). The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1). Following Lipinski's Rule of Five, Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1) has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1)?
The CAS number of Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1) is 82464-70-8.
What is the molecular formula of Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1)?
The molecular formula of Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1) is C31H39N7O5.
What is the molecular weight of Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1)?
The molecular weight of Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1) is 589.30 g/mol.
Where can I buy Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1)?
You can request a quote for Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1)?
Yes, KEHONG BIO provides custom synthesis services for Isopropylantipyrine mixed with ethenzamide and caffeine monohydrate (3:5:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.