吡唑啉
TL;DR: 吡唑啉 (CAS 36118-45-3) is a chemical compound with molecular formula C3H6N2 and molecular weight 70.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡唑啉
4,5-dihydro-3H-pyrazole
Also Known As: 1-Pyrazoline, Pyrazoline, pyrazolidinyl, 4,5-dihydro-3H-pyrazole, 3,4-Dihydropyrazol-1-yl
| Molecular Formula | C3H6N2 |
|---|---|
| Molecular Weight | 70.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 70.0531 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 36118-45-3 |
|---|---|
| SMILES | C1CN=NC1 |
| InChIKey | DNXIASIHZYFFRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡唑啉 (CAS 36118-45-3), with molecular formula C3H6N2 and molecular weight 70.05 g/mol. IUPAC: 4,5-dihydro-3H-pyrazole.
Chemical Property Profile of 吡唑啉
Property Insights of 吡唑啉
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡唑啉. With a topological polar surface area (TPSA) of 24.7 Ų, 吡唑啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吡唑啉 has 0 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 吡唑啉?
The CAS number of 吡唑啉 is 36118-45-3.
What is the molecular formula of 吡唑啉?
The molecular formula of 吡唑啉 is C3H6N2.
What is the molecular weight of 吡唑啉?
The molecular weight of 吡唑啉 is 70.05 g/mol.
Where can I buy 吡唑啉?
You can request a quote for 吡唑啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡唑啉?
Yes, KEHONG BIO provides custom synthesis services for 吡唑啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.