Metizoline
TL;DR: Metizoline (CAS 17692-22-7) is a chemical compound with molecular formula C13H14N2S and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole
Also Known As: Metyzoline, Metizolina, Metizolinum, Benazoline, Metizolin
| Molecular Formula | C13H14N2S |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.08777 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 17692-22-7 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2S1)CC3=NCCN3 |
| InChIKey | NDNKHWUXXOFHTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metizoline (CAS 17692-22-7), with molecular formula C13H14N2S and molecular weight 230.09 g/mol. IUPAC: 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole.
Chemical Property Profile of Metizoline
Property Insights of Metizoline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metizoline. With a topological polar surface area (TPSA) of 52.6 Ų, Metizoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Metizoline 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 Metizoline?
The CAS number of Metizoline is 17692-22-7.
What is the molecular formula of Metizoline?
The molecular formula of Metizoline is C13H14N2S.
What is the molecular weight of Metizoline?
The molecular weight of Metizoline is 230.09 g/mol.
Where can I buy Metizoline?
You can request a quote for Metizoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metizoline?
Yes, KEHONG BIO provides custom synthesis services for Metizoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.