2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)-
TL;DR: 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)- (CAS 54915-49-0) is a chemical compound with molecular formula C14H20ClN and molecular weight 237.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1,3,3a,8,9,9b-hexahydrobenzo[e]isoindole;hydrochloride
Also Known As: cis-2-Ethyl-3a,4,5,9b-tetrahydrobenzo(e)isoindoline hydrochloride, 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)-, 2-ethyl-2,3,3a,8,9,9b-hexahydro-1h-benzo[e]isoindole hydrochloride(1:1), 2-ethyl-1,3,3a,8,9,9b-hexahydrobenzo[e]isoindole hydrochloride, 2-Ethyl-2,3,3a,8,9,9b-hexahydro-1H-benzo[e]isoindole--hydrogen chloride (1/1)
| Molecular Formula | C14H20ClN |
|---|---|
| Molecular Weight | 237.13 g/mol |
| LogP | 3.19 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.12843 |
| Heavy Atoms | 16 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 54915-49-0 |
|---|---|
| SMILES | CCN1CC2C=CC3=C(C2C1)CCC=C3.Cl |
| InChIKey | UQKNGUDIUFOQMC-UHFFFAOYSA-N |
Product Overview
2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)- (CAS 54915-49-0), with molecular formula C14H20ClN and molecular weight 237.13 g/mol. IUPAC: 2-ethyl-1,3,3a,8,9,9b-hexahydrobenzo[e]isoindole;hydrochloride.
Chemical Property Profile of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)-
Property Insights of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)-
The XLogP value of 3.19 indicates that 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)- has 1 hydrogen bond donor(s) and 1 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 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)-?
The CAS number of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)- is 54915-49-0.
What is the molecular formula of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)-?
The molecular formula of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)- is C14H20ClN.
What is the molecular weight of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)-?
The molecular weight of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)- is 237.13 g/mol.
Where can I buy 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)-?
You can request a quote for 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.