5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine
TL;DR: 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine (CAS 474554-46-6) is a chemical compound with molecular formula C12H15FN2O2 and molecular weight 238.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-diethoxy-7-fluoro-3H-isoindol-1-amine
Also Known As: 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine, 5,6-diethoxy-7-fluoro-3H-isoindol-1-amine, 5,6-diethoxy-4-fluoro-1H-isoindol-3-amine, 5,6-Diethoxy-7-fluoroisoindoline-1-imine, 5,6-Diethoxy-4-fluoro-1H-3-isoindoleamine
| Molecular Formula | C12H15FN2O2 |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | 1.842 |
| Topological Polar Surface Area | 56.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.11176 |
| Heavy Atoms | 17 |
| Complexity | 472.0637 |
Chemical Identifiers
| CAS Number | 474554-46-6 |
|---|---|
| SMILES | CCOC1=C(C(=C2C(=C1)CN=C2N)F)OCC |
Product Overview
5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine (CAS 474554-46-6), with molecular formula C12H15FN2O2 and molecular weight 238.11 g/mol. IUPAC: 5,6-diethoxy-7-fluoro-3H-isoindol-1-amine.
Chemical Property Profile of 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine
Property Insights of 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine
The XLogP value of 1.842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine. With a topological polar surface area (TPSA) of 56.84 Ų, 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine has 1 hydrogen bond donor(s) and 4 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 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine?
The CAS number of 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine is 474554-46-6.
What is the molecular formula of 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine?
The molecular formula of 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine is C12H15FN2O2.
What is the molecular weight of 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine?
The molecular weight of 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine is 238.11 g/mol.
Where can I buy 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine?
You can request a quote for 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 5,6-diethoxy-7-fluoro-3H-isoindol-1-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.