3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one
TL;DR: 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one (CAS 75378-96-0) is a chemical compound with molecular formula C12H18N2O and molecular weight 206.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one
Also Known As: 3-3a,4,5,7a-tetrahydro-3a,5-dimethyl-1h-isoindol-1-one, 3- -3a,4,5,7a-tetrahydro-3a,5-dimethyl-1H-isoindol-1-one, 3-dimethylamino-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one, 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one, 1H-Isoindol-1-one, 3-(dimethylamino)-3a,4,5,7a-tetrahydro-3a,5-dimethyl-
| Molecular Formula | C12H18N2O |
|---|---|
| Molecular Weight | 206.14 g/mol |
| LogP | 1.7052 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.1419 |
| Heavy Atoms | 15 |
| Complexity | 356.6336 |
Chemical Identifiers
| CAS Number | 75378-96-0 |
|---|---|
| SMILES | CC1CC2(C(C=C1)C(=O)N=C2N(C)C)C |
Product Overview
3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one (CAS 75378-96-0), with molecular formula C12H18N2O and molecular weight 206.14 g/mol. IUPAC: 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one.
Chemical Property Profile of 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one
Property Insights of 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one
The XLogP value of 1.7052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one. With a topological polar surface area (TPSA) of 32.67 Ų, 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one has 0 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 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one?
The CAS number of 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one is 75378-96-0.
What is the molecular formula of 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one?
The molecular formula of 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one is C12H18N2O.
What is the molecular weight of 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one?
The molecular weight of 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one is 206.14 g/mol.
Where can I buy 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one?
You can request a quote for 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(dimethylamino)-3a,5-dimethyl-5,7a-dihydro-4H-isoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.