7-Benzyloxygramine
TL;DR: 7-Benzyloxygramine (CAS 94067-27-3) is a chemical compound with molecular formula C18H20N2O and molecular weight 280.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-1-(7-phenylmethoxy-1H-indol-3-yl)methanamine
Also Known As: 7-Benzyloxygramine, 7-benzyloxy gramine, FURSALAN, Gramine, 7-benzyloxy, NCIOpen2_006013
| Molecular Formula | C18H20N2O |
|---|---|
| Molecular Weight | 280.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 28.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.15756 |
| Heavy Atoms | 21 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 94067-27-3 |
|---|---|
| SMILES | CN(C)CC1=CNC2=C1C=CC=C2OCC3=CC=CC=C3 |
| InChIKey | SUZMCIRGERDWMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Benzyloxygramine (CAS 94067-27-3), with molecular formula C18H20N2O and molecular weight 280.16 g/mol. IUPAC: N,N-dimethyl-1-(7-phenylmethoxy-1H-indol-3-yl)methanamine.
Chemical Property Profile of 7-Benzyloxygramine
Property Insights of 7-Benzyloxygramine
The XLogP value of 3.4 indicates that 7-Benzyloxygramine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.3 Ų, 7-Benzyloxygramine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Benzyloxygramine has 1 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 7-Benzyloxygramine?
The CAS number of 7-Benzyloxygramine is 94067-27-3.
What is the molecular formula of 7-Benzyloxygramine?
The molecular formula of 7-Benzyloxygramine is C18H20N2O.
What is the molecular weight of 7-Benzyloxygramine?
The molecular weight of 7-Benzyloxygramine is 280.16 g/mol.
Where can I buy 7-Benzyloxygramine?
You can request a quote for 7-Benzyloxygramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Benzyloxygramine?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyloxygramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.