5-苄氧基色胺
TL;DR: 5-苄氧基色胺 (CAS 20776-45-8) is a chemical compound with molecular formula C17H18N2O and molecular weight 266.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-苄氧基色胺
2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine
Also Known As: 5-Benzyloxytryptamine, O-Benzylserotonin, 5-Benzyloxytriptamine, 2-(5-Benzyloxy-1H-indol-3-yl)-ethylamine, 5-(Benzyloxy)tryptamine
| Molecular Formula | C17H18N2O |
|---|---|
| Molecular Weight | 266.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.1419 |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
| Solubility | 7.8 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 20776-45-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN |
| InChIKey | WKPDXBXNJWWWGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-苄氧基色胺 (CAS 20776-45-8), with molecular formula C17H18N2O and molecular weight 266.14 g/mol. IUPAC: 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine.
Chemical Property Profile of 5-苄氧基色胺
Property Insights of 5-苄氧基色胺
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-苄氧基色胺. With a topological polar surface area (TPSA) of 51.0 Ų, 5-苄氧基色胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-苄氧基色胺 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 5-苄氧基色胺?
The CAS number of 5-苄氧基色胺 is 20776-45-8.
What is the molecular formula of 5-苄氧基色胺?
The molecular formula of 5-苄氧基色胺 is C17H18N2O.
What is the molecular weight of 5-苄氧基色胺?
The molecular weight of 5-苄氧基色胺 is 266.14 g/mol.
Where can I buy 5-苄氧基色胺?
You can request a quote for 5-苄氧基色胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-苄氧基色胺?
Yes, KEHONG BIO provides custom synthesis services for 5-苄氧基色胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.