妥拉唑啉
TL;DR: 妥拉唑啉 (CAS 59-98-3) is a chemical compound with molecular formula C10H12N2 and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
妥拉唑啉
2-benzyl-4,5-dihydro-1H-imidazole
Also Known As: tolazoline, 2-Benzylimidazoline, Benzidazol, Benzazoline, Priscoline
| Molecular Formula | C10H12N2 |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.10005 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
| Melting Point | 174 |
| Solubility | 373 |
Chemical Identifiers
| CAS Number | 59-98-3 |
|---|---|
| SMILES | C1CN=C(N1)CC2=CC=CC=C2 |
| InChIKey | JIVZKJJQOZQXQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
妥拉唑啉 (CAS 59-98-3), with molecular formula C10H12N2 and molecular weight 160.10 g/mol. IUPAC: 2-benzyl-4,5-dihydro-1H-imidazole.
Chemical Property Profile of 妥拉唑啉
Property Insights of 妥拉唑啉
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 妥拉唑啉. With a topological polar surface area (TPSA) of 24.4 Ų, 妥拉唑啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 妥拉唑啉 has 1 hydrogen bond donor(s) and 1 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 妥拉唑啉?
The CAS number of 妥拉唑啉 is 59-98-3.
What is the molecular formula of 妥拉唑啉?
The molecular formula of 妥拉唑啉 is C10H12N2.
What is the molecular weight of 妥拉唑啉?
The molecular weight of 妥拉唑啉 is 160.10 g/mol.
Where can I buy 妥拉唑啉?
You can request a quote for 妥拉唑啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 妥拉唑啉?
Yes, KEHONG BIO provides custom synthesis services for 妥拉唑啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.