RefChem:239342
TL;DR: RefChem:239342 (CAS 61356-06-7) is a chemical compound with molecular formula C20H30N2O3 and molecular weight 346.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-pyrrolidin-1-ylethoxy)cyclohexyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 3a,4,7,7a-Tetrahydro-2-(4-(2-(1-pyrrolidinyl)ethoxy)cyclohexyl)-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-(1-pyrrolidinyl)ethoxy)cyclohexyl)-, 2-[4-(2-pyrrolidin-1-ylethoxy)cyclohexyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 1H-ISOINDOLE-1,3(2H)-DIONE, 3a,4,7,7a-TETRAHYDRO-2-(4-(2-(1-PYRROLIDINYL)ETHOXY), 2-{4-[2-(pyrrolidin-1-yl)ethoxy]cyclohexyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C20H30N2O3 |
|---|---|
| Molecular Weight | 346.23 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.22565 |
| Heavy Atoms | 25 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 61356-06-7 |
|---|---|
| SMILES | C1CCN(C1)CCOC2CCC(CC2)N3C(=O)C4CC=CCC4C3=O |
| InChIKey | WLCZANLEZKJABS-UHFFFAOYSA-N |
Product Overview
RefChem:239342 (CAS 61356-06-7), with molecular formula C20H30N2O3 and molecular weight 346.23 g/mol. IUPAC: 2-[4-(2-pyrrolidin-1-ylethoxy)cyclohexyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of RefChem:239342
Property Insights of RefChem:239342
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239342. With a topological polar surface area (TPSA) of 49.9 Ų, RefChem:239342 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239342 has 0 hydrogen bond donor(s) and 4 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 RefChem:239342?
The CAS number of RefChem:239342 is 61356-06-7.
What is the molecular formula of RefChem:239342?
The molecular formula of RefChem:239342 is C20H30N2O3.
What is the molecular weight of RefChem:239342?
The molecular weight of RefChem:239342 is 346.23 g/mol.
Where can I buy RefChem:239342?
You can request a quote for RefChem:239342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239342?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.