2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione
TL;DR: 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione (CAS 92706-89-3) is a chemical compound with molecular formula C12H12BrNO3 and molecular weight 297.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromobutoxy)isoindole-1,3-dione
Also Known As: NCIOpen2_006831, 2-(3-bromobutoxy)-1h-isoindole-1,3(2h)-dione, 2-(3-bromobutoxy)isoindole-1,3-dione
| Molecular Formula | C12H12BrNO3 |
|---|---|
| Molecular Weight | 297.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.00006 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 92706-89-3 |
|---|---|
| SMILES | CC(CCON1C(=O)C2=CC=CC=C2C1=O)Br |
| InChIKey | QNKWVMVEVRUKRO-UHFFFAOYSA-N |
Product Overview
2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione (CAS 92706-89-3), with molecular formula C12H12BrNO3 and molecular weight 297.00 g/mol. IUPAC: 2-(3-bromobutoxy)isoindole-1,3-dione.
Chemical Property Profile of 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione
Property Insights of 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione. With a topological polar surface area (TPSA) of 46.6 Ų, 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione has 0 hydrogen bond donor(s) and 3 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-Bromobutoxy)-1h-isoindole-1,3(2h)-dione?
The CAS number of 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione is 92706-89-3.
What is the molecular formula of 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione?
The molecular formula of 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione is C12H12BrNO3.
What is the molecular weight of 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione?
The molecular weight of 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione is 297.00 g/mol.
Where can I buy 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione?
You can request a quote for 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Bromobutoxy)-1h-isoindole-1,3(2h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.