5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole
TL;DR: 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole (CAS 22931-35-7) is a chemical compound with molecular formula C15H25ClN2 and molecular weight 268.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(2-piperidin-1-ylethyl)-1,3,3a,4,7,7a-hexahydroisoindole
Also Known As: 5-chloro-2-(2-piperidin-1-ylethyl)-1,3,3a,4,7,7a-hexahydroisoindole, 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole, 5-chloro-2-[2-(1-piperidinyl)ethyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole
| Molecular Formula | C15H25ClN2 |
|---|---|
| Molecular Weight | 268.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.17062 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 22931-35-7 |
|---|---|
| SMILES | C1CCN(CC1)CCN2CC3CC=C(CC3C2)Cl |
| InChIKey | VBAVWASTSFNHBO-UHFFFAOYSA-N |
Product Overview
5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole (CAS 22931-35-7), with molecular formula C15H25ClN2 and molecular weight 268.17 g/mol. IUPAC: 5-chloro-2-(2-piperidin-1-ylethyl)-1,3,3a,4,7,7a-hexahydroisoindole.
Chemical Property Profile of 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole
Property Insights of 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole. With a topological polar surface area (TPSA) of 6.5 Ų, 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole 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 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole?
The CAS number of 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole is 22931-35-7.
What is the molecular formula of 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole?
The molecular formula of 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole is C15H25ClN2.
What is the molecular weight of 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole?
The molecular weight of 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole is 268.17 g/mol.
Where can I buy 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole?
You can request a quote for 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole 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-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-(2-(piperidin-1-yl)ethyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.