Xylometazoline
TL;DR: Xylometazoline (CAS 526-36-3) is a chemical compound with molecular formula C16H24N2 and molecular weight 244.19395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
Also Known As: xylometazoline, Xylomethazoline, Otrivine, Otriven, Xilometazolina
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H24N2 |
| Molecular Weight | 244.19395 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.19395 Da |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
| Melting Point | 317-329 |
| Solubility | 100 |
| SMILES | CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C |
| InChIKey | HUCJFAOMUPXHDK-UHFFFAOYSA-N |
Product Description
Applications: Xylometazoline is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Xylometazoline is a pharmaceutical intermediate identified by CAS number 526-36-3 and the molecular formula C16H24N2 and a molecular weight of 244.19 g/mol. Physically, the compound has a solubility: 100. Synonyms include xylometazoline and Xylomethazoline.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Xylometazoline
Property Insights of Xylometazoline
The XLogP value of 3.2 indicates that Xylometazoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.4 Ų, Xylometazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xylometazoline 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
What is the CAS number of Xylometazoline?
The CAS number of Xylometazoline is 526-36-3.
What is the molecular formula of Xylometazoline?
The molecular formula of Xylometazoline is C16H24N2.
What is the molecular weight of Xylometazoline?
The molecular weight of Xylometazoline is 244.19395 g/mol.
What are the applications of Xylometazoline?
Xylometazoline is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Xylometazoline?
You can request a quote for Xylometazoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Xylometazoline?
Yes, CoreyChem provides custom synthesis services for Xylometazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.