苄丙酚胺
TL;DR: 苄丙酚胺 (CAS 447-41-6) is a chemical compound with molecular formula C19H25NO2 and molecular weight 299.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄丙酚胺
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol
Also Known As: nylidrin, Buphenine, Buphenin, Nilidrine, Suprifen-psb
| Molecular Formula | C19H25NO2 |
|---|---|
| Molecular Weight | 299.19 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.18854 |
| Heavy Atoms | 22 |
| Complexity | 296.0 |
| Melting Point | 217 |
| Solubility | Mol wt 335.88. Crystals. Sparingly sol in water; slightly sol in alcohol. Practically insol in ether, chloroform, benzene /Hydrochloride/ |
Chemical Identifiers
| CAS Number | 447-41-6 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O |
| InChIKey | PTGXAUBQBSGPKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄丙酚胺 (CAS 447-41-6), with molecular formula C19H25NO2 and molecular weight 299.19 g/mol. IUPAC: 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol.
Chemical Property Profile of 苄丙酚胺
Property Insights of 苄丙酚胺
The XLogP value of 3.5 indicates that 布非寧 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, 苄丙酚胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 布非寧 has 3 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 布非寧?
The CAS number of 布非寧 is 447-41-6.
What is the molecular formula of 布非寧?
The molecular formula of 布非寧 is C19H25NO2.
What is the molecular weight of 布非寧?
The molecular weight of 布非寧 is 299.19 g/mol.
Where can I buy 布非寧?
You can request a quote for 布非寧 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 布非寧?
Yes, KEHONG BIO provides custom synthesis services for 布非寧 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.