Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)-
TL;DR: Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)- (CAS 73816-66-7) is a chemical compound with molecular formula C14H26N2 and molecular weight 222.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-N,N-diethylethanamine
Also Known As: 3a,4,7,7a-Tetrahydro-2-(diethylaminoethyl)isoindoline, 4-20-00-02162 (Beilstein Handbook Reference), ISOINDOLINE, 3a,4,7,7a-TETRAHYDRO-2-(DIETHYLAMINOETHYL)-, 2H-Isoindole-2-ethanamine, N,N-diethyl-1,3,3a,4,7,7a-hexahydro-, 3a,7,7a-Tetrahydro-2-(diethylaminoethyl)isoindoline
| Molecular Formula | C14H26N2 |
|---|---|
| Molecular Weight | 222.21 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.2096 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 73816-66-7 |
|---|---|
| SMILES | CCN(CC)CCN1CC2CC=CCC2C1 |
| InChIKey | CIWMWEHUOHWVMX-UHFFFAOYSA-N |
Product Overview
Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)- (CAS 73816-66-7), with molecular formula C14H26N2 and molecular weight 222.21 g/mol. IUPAC: 2-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-N,N-diethylethanamine.
Chemical Property Profile of Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)-
Property Insights of Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)-. With a topological polar surface area (TPSA) of 6.5 Ų, Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)- 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 Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)-?
The CAS number of Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)- is 73816-66-7.
What is the molecular formula of Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)-?
The molecular formula of Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)- is C14H26N2.
What is the molecular weight of Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)-?
The molecular weight of Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)- is 222.21 g/mol.
Where can I buy Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)-?
You can request a quote for Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isoindoline, 3a,4,7,7a-tetrahydro-2-(diethylaminoethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.