2-(4-Chloro-2-butenyl)-1,3-isoindolinedione
TL;DR: 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione (CAS 49705-66-0) is a chemical compound with molecular formula C12H10ClNO2 and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorobut-2-enyl)isoindole-1,3-dione
Also Known As: 2-(4-chlorobut-2-enyl)isoindole-1,3-dione, 2-(4-chloro-2-butenyl)-1,3-isoindolinedione, (Z)-2-(4-Chlorobut-2-en-1-yl)isoindoline-1,3-dione, 2-(4-chlorobut-2-enyl)isoindoline-1,3-dione, 2-(4-Chloro-but-2-enyl)-isoindole-1,3-dione
| Molecular Formula | C12H10ClNO2 |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 2.0776 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.04001 |
| Heavy Atoms | 16 |
| Complexity | 432.8415 |
Chemical Identifiers
| CAS Number | 49705-66-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC=CCCl |
Product Overview
2-(4-Chloro-2-butenyl)-1,3-isoindolinedione (CAS 49705-66-0), with molecular formula C12H10ClNO2 and molecular weight 235.04 g/mol. IUPAC: 2-(4-chlorobut-2-enyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione
Property Insights of 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione
The XLogP value of 2.0776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione. With a topological polar surface area (TPSA) of 37.38 Ų, 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione 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 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione?
The CAS number of 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione is 49705-66-0.
What is the molecular formula of 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione?
The molecular formula of 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione is C12H10ClNO2.
What is the molecular weight of 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione?
The molecular weight of 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione is 235.04 g/mol.
Where can I buy 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione?
You can request a quote for 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-2-butenyl)-1,3-isoindolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.