2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)-
TL;DR: 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)- (CAS 54915-14-9) is a chemical compound with molecular formula C12H16ClN and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3a,8,9,9b-hexahydro-1H-benzo[e]isoindole;hydrochloride
Also Known As: cis-3a,4,5,9b-Tetrahydrobenzo(e)isoindoline hydrochloride, 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)-, 2,3,3a,8,9,9b-hexahydro-1h-benzo[e]isoindole hydrochloride(1:1), 2,3,3a,8,9,9b-hexahydro-1H-benzo[e]isoindole hydrochloride, 2,3,3a,8,9,9b-Hexahydro-1H-benzo[e]isoindole--hydrogen chloride (1/1)
| Molecular Formula | C12H16ClN |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 2.46 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.09712 |
| Heavy Atoms | 14 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 54915-14-9 |
|---|---|
| SMILES | C1CC2=C(C=C1)C=CC3C2CNC3.Cl |
| InChIKey | QKHCZIPTANSJQT-UHFFFAOYSA-N |
Product Overview
2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)- (CAS 54915-14-9), with molecular formula C12H16ClN and molecular weight 209.10 g/mol. IUPAC: 2,3,3a,8,9,9b-hexahydro-1H-benzo[e]isoindole;hydrochloride.
Chemical Property Profile of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)-
Property Insights of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)-
The XLogP value of 2.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)-. With a topological polar surface area (TPSA) of 12.0 Ų, 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, 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-, hydrochloride, (Z)- has 2 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-, hydrochloride, (Z)-?
The CAS number of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)- is 54915-14-9.
What is the molecular formula of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)-?
The molecular formula of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)- is C12H16ClN.
What is the molecular weight of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)-?
The molecular weight of 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)- is 209.10 g/mol.
Where can I buy 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)-?
You can request a quote for 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, 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-, hydrochloride, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-, hydrochloride, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.