4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl-
TL;DR: 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl- (CAS 30467-62-0) is a chemical compound with molecular formula C7H12N2O and molecular weight 140.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5,5-tetramethylpyrazol-4-one
Also Known As: 3,3,5,5-tetramethylpyrazol-4-one, tetramethyl-4,5-dihydro-3H-pyrazol-4-one, 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl-, 3,3,5,5-tetramethyl-3,5-dihydro-pyrazol-4-one, J1.250.501I
| Molecular Formula | C7H12N2O |
|---|---|
| Molecular Weight | 140.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.09496 |
| Heavy Atoms | 10 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 30467-62-0 |
|---|---|
| SMILES | CC1(C(=O)C(N=N1)(C)C)C |
| InChIKey | IOJIPAUDDGMFOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl- (CAS 30467-62-0), with molecular formula C7H12N2O and molecular weight 140.09 g/mol. IUPAC: 3,3,5,5-tetramethylpyrazol-4-one.
Chemical Property Profile of 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl-
Property Insights of 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl-. With a topological polar surface area (TPSA) of 41.8 Ų, 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl- has 0 hydrogen bond donor(s) and 3 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 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl-?
The CAS number of 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl- is 30467-62-0.
What is the molecular formula of 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl-?
The molecular formula of 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl- is C7H12N2O.
What is the molecular weight of 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl-?
The molecular weight of 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl- is 140.09 g/mol.
Where can I buy 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl-?
You can request a quote for 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyrazole-4-one, 3,5-dihydro-3,3,5,5-tetramethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.