2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole
TL;DR: 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole (CAS 664993-17-3) is a chemical compound with molecular formula C12H14ClN and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorobut-2-enyl)-1,3-dihydroisoindole
Also Known As: 2-(3-chloro-2-butenyl)isoindoline, 2-(3-chlorobut-2-enyl)-1,3-dihydroisoindole, AL-281/41935320
| Molecular Formula | C12H14ClN |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | 3.1448 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.08148 |
| Heavy Atoms | 14 |
| Complexity | 328.0943 |
Chemical Identifiers
| CAS Number | 664993-17-3 |
|---|---|
| SMILES | CC(=CCN1CC2=CC=CC=C2C1)Cl |
Product Overview
2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole (CAS 664993-17-3), with molecular formula C12H14ClN and molecular weight 207.08 g/mol. IUPAC: 2-(3-chlorobut-2-enyl)-1,3-dihydroisoindole.
Chemical Property Profile of 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole
Property Insights of 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole
The XLogP value of 3.1448 indicates that 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole 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-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole?
The CAS number of 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole is 664993-17-3.
What is the molecular formula of 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole?
The molecular formula of 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole is C12H14ClN.
What is the molecular weight of 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole?
The molecular weight of 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole is 207.08 g/mol.
Where can I buy 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole?
You can request a quote for 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chlorobut-2-enyl)-1,3-dihydroisoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.