4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one (CAS 866018-40-8) is a chemical compound with molecular formula C14H15N3O5 and molecular weight 305.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)pyrazol-3-one
Also Known As: 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one, 4W-0215, 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)pyrazol-3-one, 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C14H15N3O5 |
|---|---|
| Molecular Weight | 305.10 g/mol |
| LogP | 0.62672 |
| Topological Polar Surface Area | 107.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.10117 |
| Heavy Atoms | 22 |
| Complexity | 803.29504 |
Chemical Identifiers
| CAS Number | 866018-40-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)CCO |
Product Overview
4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one (CAS 866018-40-8), with molecular formula C14H15N3O5 and molecular weight 305.10 g/mol. IUPAC: 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)pyrazol-3-one.
Chemical Property Profile of 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 0.62672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one. The TPSA of 107.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 5 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 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one is 866018-40-8.
What is the molecular formula of 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one is C14H15N3O5.
What is the molecular weight of 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one is 305.10 g/mol.
Where can I buy 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-hydroxyethyl)-2,5-dimethyl-1-(3-nitrobenzoyl)-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.