![5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione structure](/static/products/3316/331665-84-0.webp)
5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 331665-84-0) is a chemical compound with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 5-chloro-2-(2-dimethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 5-chloro-2-(2-(dimethylamino)ethyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C12H17ClN2O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 1.0657 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.09787 |
| Heavy Atoms | 17 |
| Complexity | 378.7019 |
Chemical Identifiers
| CAS Number | 331665-84-0 |
|---|---|
| SMILES | CN(C)CCN1C(=O)C2CC=C(CC2C1=O)Cl |
Product Overview
5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 331665-84-0), with molecular formula C12H17ClN2O2 and molecular weight 256.10 g/mol. IUPAC: 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 1.0657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 40.62 Ų, 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 3 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-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 331665-84-0.
What is the molecular formula of 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is C12H17ClN2O2.
What is the molecular weight of 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 256.10 g/mol.
Where can I buy 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-[2-(dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.