11E-914
TL;DR: 11E-914 (CAS 400075-15-2) is a chemical compound with molecular formula C23H22N4O3 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-methyl-5-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrazol-1-yl]ethyl benzoate
Also Known As: 11E-914, 4-(1-Phenyl-3-methyl-5-hydroxypyrazolo)-5-(1-(2-benzoyloxyethyl-3-methyl)pyrazole), 2-[3-methyl-5-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrazol-1-yl]ethyl benzoate, 2-[5-methyl-3-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-1H-pyrazol-2-yl]ethyl benzoate, 2-{5'-hydroxy-3',5-dimethyl-1'-phenyl-1'H,2H-[3,4'-bipyrazole]-2-yl}ethyl benzoate
| Molecular Formula | C23H22N4O3 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 3.50294 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.1692 |
| Heavy Atoms | 30 |
| Complexity | 1220.5791 |
Chemical Identifiers
| CAS Number | 400075-15-2 |
|---|---|
| SMILES | CC1=NN(C(=C1)C2=C(NN(C2=O)C3=CC=CC=C3)C)CCOC(=O)C4=CC=CC=C4 |
Product Overview
11E-914 (CAS 400075-15-2), with molecular formula C23H22N4O3 and molecular weight 402.17 g/mol. IUPAC: 2-[3-methyl-5-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrazol-1-yl]ethyl benzoate.
Chemical Property Profile of 11E-914
Property Insights of 11E-914
The XLogP value of 3.50294 indicates that 11E-914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 11E-914. Following Lipinski's Rule of Five, 11E-914 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 11E-914?
The CAS number of 11E-914 is 400075-15-2.
What is the molecular formula of 11E-914?
The molecular formula of 11E-914 is C23H22N4O3.
What is the molecular weight of 11E-914?
The molecular weight of 11E-914 is 402.17 g/mol.
Where can I buy 11E-914?
You can request a quote for 11E-914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11E-914?
Yes, KEHONG BIO provides custom synthesis services for 11E-914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.