Phentolamine
TL;DR: Phentolamine (CAS 50-60-2) is a chemical compound with molecular formula C17H19N3O and molecular weight 281.1528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol
Also Known As: phentolamine, Regitine, Regitin, Dibasin, Fentolamin
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H19N3O |
| Molecular Weight | 281.1528 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 47.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1528 Da |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
| Melting Point | 181 |
| Solubility | 2.72e-01 g/L |
| SMILES | CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O |
| InChIKey | MRBDMNSDAVCSSF-UHFFFAOYSA-N |
Product Description
Applications: Phentolamine 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).
Phentolamine is a pharmaceutical intermediate identified by CAS number 50-60-2 and the molecular formula C17H19N3O and a molecular weight of 281.15 g/mol. Physically, the compound has a solubility: 2.72e-01 g/L. Synonyms include phentolamine and Regitine.
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 Phentolamine
Property Insights of Phentolamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phentolamine. With a topological polar surface area (TPSA) of 47.9 Ų, Phentolamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phentolamine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phentolamine?
The CAS number of Phentolamine is 50-60-2.
What is the molecular formula of Phentolamine?
The molecular formula of Phentolamine is C17H19N3O.
What is the molecular weight of Phentolamine?
The molecular weight of Phentolamine is 281.1528 g/mol.
What are the applications of Phentolamine?
Phentolamine 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 Phentolamine?
You can request a quote for Phentolamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phentolamine?
Yes, CoreyChem provides custom synthesis services for Phentolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.