2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole
TL;DR: 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole (CAS 40737-66-4) is a chemical compound with molecular formula C10H12ClN and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethyl)-1,3-dihydroisoindole
Also Known As: 2-(2-chloroethyl)-1,3-dihydroisoindole, 2-(2-Chloroethyl)isoindoline hydrochloride, 1H-Isoindole, 2-(2-chloroethyl)-2,3-dihydro-, 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole, ISOINDOLINE, 2-(2-CHLOROETHYL)-, HYDROCHLORIDE
| Molecular Formula | C10H12ClN |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.06583 |
| Heavy Atoms | 12 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 40737-66-4 |
|---|---|
| SMILES | C1C2=CC=CC=C2CN1CCCl |
| InChIKey | AQCFDAXYYWZJHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole (CAS 40737-66-4), with molecular formula C10H12ClN and molecular weight 181.07 g/mol. IUPAC: 2-(2-chloroethyl)-1,3-dihydroisoindole.
Chemical Property Profile of 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole
Property Insights of 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole. With a topological polar surface area (TPSA) of 3.2 Ų, 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole has 0 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 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole?
The CAS number of 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole is 40737-66-4.
What is the molecular formula of 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole?
The molecular formula of 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole is C10H12ClN.
What is the molecular weight of 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole?
The molecular weight of 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole is 181.07 g/mol.
Where can I buy 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole?
You can request a quote for 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-chloro-ethyl)-2,3-dihydro-1H-isoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.