3,5,5-Trimethyl-2-pyrazoline
TL;DR: 3,5,5-Trimethyl-2-pyrazoline (CAS 52303-04-5) is a chemical compound with molecular formula C6H12N2 and molecular weight 112.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethyl-1,4-dihydropyrazole
Also Known As: 3,5,5-Trimethyl-2-pyrazoline, 3,5,5-Trimethylpyrazoline, 3,5-Trimethylpyrazoline, 2-Pyrazoline, 3,5,5-trimethyl-, 3,5,5-trimethyl-1,4-dihydropyrazole
| Molecular Formula | C6H12N2 |
|---|---|
| Molecular Weight | 112.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.10005 |
| Heavy Atoms | 8 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 52303-04-5 |
|---|---|
| SMILES | CC1=NNC(C1)(C)C |
| InChIKey | MEVTUZFUVAZEPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5,5-Trimethyl-2-pyrazoline (CAS 52303-04-5), with molecular formula C6H12N2 and molecular weight 112.10 g/mol. IUPAC: 3,5,5-trimethyl-1,4-dihydropyrazole.
Chemical Property Profile of 3,5,5-Trimethyl-2-pyrazoline
Property Insights of 3,5,5-Trimethyl-2-pyrazoline
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,5-Trimethyl-2-pyrazoline. With a topological polar surface area (TPSA) of 24.4 Ų, 3,5,5-Trimethyl-2-pyrazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethyl-2-pyrazoline has 1 hydrogen bond donor(s) and 2 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 3,5,5-Trimethyl-2-pyrazoline?
The CAS number of 3,5,5-Trimethyl-2-pyrazoline is 52303-04-5.
What is the molecular formula of 3,5,5-Trimethyl-2-pyrazoline?
The molecular formula of 3,5,5-Trimethyl-2-pyrazoline is C6H12N2.
What is the molecular weight of 3,5,5-Trimethyl-2-pyrazoline?
The molecular weight of 3,5,5-Trimethyl-2-pyrazoline is 112.10 g/mol.
Where can I buy 3,5,5-Trimethyl-2-pyrazoline?
You can request a quote for 3,5,5-Trimethyl-2-pyrazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethyl-2-pyrazoline?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethyl-2-pyrazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.