羟甲唑啉
TL;DR: 羟甲唑啉 (CAS 1491-59-4) is a chemical compound with molecular formula C16H24N2O and molecular weight 260.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羟甲唑啉
6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
Also Known As: oxymetazoline, Oxymethazoline, Hazol, Oximetazolinum, Rhinofrenol
| Molecular Formula | C16H24N2O |
|---|---|
| Molecular Weight | 260.19 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.18887 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
| Melting Point | 182 |
| Solubility | ODORLESS; WHITE TO NEARLY WHITE, FINE, CRYSTALLINE POWDER; SOL IN ALC |
Chemical Identifiers
| CAS Number | 1491-59-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C |
| InChIKey | WYWIFABBXFUGLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羟甲唑啉 (CAS 1491-59-4), with molecular formula C16H24N2O and molecular weight 260.19 g/mol. IUPAC: 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol.
Chemical Property Profile of 羟甲唑啉
Property Insights of 羟甲唑啉
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 羟甲唑啉. With a topological polar surface area (TPSA) of 44.6 Ų, 羟甲唑啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 羟甲唑啉 has 2 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 羟甲唑啉?
The CAS number of 羟甲唑啉 is 1491-59-4.
What is the molecular formula of 羟甲唑啉?
The molecular formula of 羟甲唑啉 is C16H24N2O.
What is the molecular weight of 羟甲唑啉?
The molecular weight of 羟甲唑啉 is 260.19 g/mol.
Where can I buy 羟甲唑啉?
You can request a quote for 羟甲唑啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羟甲唑啉?
Yes, KEHONG BIO provides custom synthesis services for 羟甲唑啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.