2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine
TL;DR: 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine (CAS 876725-36-9) is a chemical compound with molecular formula C12H16N2O and molecular weight 204.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine
Also Known As: 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine, AF-399/42920853, 2-(1-methoxypropan-2-yl)-2,3-dihydro-1H-isoindol-1-imine
| Molecular Formula | C12H16N2O |
|---|---|
| Molecular Weight | 204.13 g/mol |
| LogP | 1.86247 |
| Topological Polar Surface Area | 36.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.12627 |
| Heavy Atoms | 15 |
| Complexity | 375.6398 |
Chemical Identifiers
| CAS Number | 876725-36-9 |
|---|---|
| SMILES | CC(COC)N1CC2=CC=CC=C2C1=N |
Product Overview
2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine (CAS 876725-36-9), with molecular formula C12H16N2O and molecular weight 204.13 g/mol. IUPAC: 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine.
Chemical Property Profile of 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine
Property Insights of 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine
The XLogP value of 1.86247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine. With a topological polar surface area (TPSA) of 36.32 Ų, 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine 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 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine?
The CAS number of 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine is 876725-36-9.
What is the molecular formula of 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine?
The molecular formula of 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine is C12H16N2O.
What is the molecular weight of 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine?
The molecular weight of 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine is 204.13 g/mol.
Where can I buy 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine?
You can request a quote for 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-methoxypropan-2-yl)-3H-isoindol-1-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.