Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate
TL;DR: Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate (CAS 98238-15-4) is a chemical compound with molecular formula C22H24Cl2N2O and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-3H-isoindol-1-one;hydrochloride
Also Known As: Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate, 1H-Isoindol-1-one, 5-chloro-2-(8-(phenylmethyl)-2,3-dihydro-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride, exo-, 2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-3H-isoindol-1-one hydrochloride, 2-(8-Benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2,3-dihydro-1H-isoindol-1-one--hydrogen chloride (1/1), RefChem:239227
| Molecular Formula | C22H24Cl2N2O |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 4.9132 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.12656 |
| Heavy Atoms | 27 |
| Complexity | 827.46136 |
Chemical Identifiers
| CAS Number | 98238-15-4 |
|---|---|
| SMILES | C1CC2CC(CC1N2CC3=CC=CC=C3)N4CC5=C(C4=O)C=CC(=C5)Cl.Cl |
Product Overview
Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate (CAS 98238-15-4), with molecular formula C22H24Cl2N2O and molecular weight 402.13 g/mol. IUPAC: 2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-3H-isoindol-1-one;hydrochloride.
Chemical Property Profile of Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate
Property Insights of Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate
The XLogP value of 4.9132 indicates that Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate 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 Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate?
The CAS number of Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate is 98238-15-4.
What is the molecular formula of Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate?
The molecular formula of Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate is C22H24Cl2N2O.
What is the molecular weight of Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate?
The molecular weight of Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate is 402.13 g/mol.
Where can I buy Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate?
You can request a quote for Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl-8 beta-(chloro-5 isoindolinone-1 yl-2)-3 aza-8 bicyclo(3.2.1)octane chlorhydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.