苄胺唑啉
TL;DR: 苄胺唑啉 (CAS 50-60-2) is a chemical compound with molecular formula C17H19N3O and molecular weight 281.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄胺唑啉
3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol
Also Known As: phentolamine, Regitine, Regitin, Dibasin, Fentolamin
| Molecular Formula | C17H19N3O |
|---|---|
| Molecular Weight | 281.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1528 |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
| Melting Point | 181 |
| Solubility | 2.72e-01 g/L |
Chemical Identifiers
| CAS Number | 50-60-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O |
| InChIKey | MRBDMNSDAVCSSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄胺唑啉 (CAS 50-60-2), with molecular formula C17H19N3O and molecular weight 281.15 g/mol. IUPAC: 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol.
Chemical Property Profile of 苄胺唑啉
Property Insights of 苄胺唑啉
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄胺唑啉. With a topological polar surface area (TPSA) of 47.9 Ų, 苄胺唑啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄胺唑啉 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
Frequently Asked Questions
What is the CAS number of 苄胺唑啉?
The CAS number of 苄胺唑啉 is 50-60-2.
What is the molecular formula of 苄胺唑啉?
The molecular formula of 苄胺唑啉 is C17H19N3O.
What is the molecular weight of 苄胺唑啉?
The molecular weight of 苄胺唑啉 is 281.15 g/mol.
Where can I buy 苄胺唑啉?
You can request a quote for 苄胺唑啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄胺唑啉?
Yes, KEHONG BIO provides custom synthesis services for 苄胺唑啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.