5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
TL;DR: 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 327097-47-2) is a chemical compound with molecular formula C14H21ClN2O2 and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[2-(diethylamino)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 5-chloro-2-(2-(diethylamino)ethyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C14H21ClN2O2 |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 1.8459 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.12915 |
| Heavy Atoms | 19 |
| Complexity | 404.25015 |
Chemical Identifiers
| CAS Number | 327097-47-2 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)C2CC=C(CC2C1=O)Cl |
Product Overview
5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 327097-47-2), with molecular formula C14H21ClN2O2 and molecular weight 284.13 g/mol. IUPAC: 5-chloro-2-[2-(diethylamino)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Property Insights of 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
The XLogP value of 1.8459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione. With a topological polar surface area (TPSA) of 40.62 Ų, 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-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-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The CAS number of 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 327097-47-2.
What is the molecular formula of 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular formula of 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is C14H21ClN2O2.
What is the molecular weight of 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular weight of 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 284.13 g/mol.
Where can I buy 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
You can request a quote for 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-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-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-(2-diethylaminoethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.