2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione
TL;DR: 2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione (CAS 70312-74-2) is a chemical compound with molecular formula C10H7BrN2O4 and molecular weight 297.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromoethyl)-5-nitroisoindole-1,3-dione
Also Known As: 2-(2-bromoethyl)-5-nitroisoindole-1,3-dione, 2-(2-bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione, 2-(2-bromo-ethyl)-5-nitro-isoindoline-1,3-dione
| Molecular Formula | C10H7BrN2O4 |
|---|---|
| Molecular Weight | 297.96 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.95892 |
| Heavy Atoms | 17 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 70312-74-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCBr |
| InChIKey | MYLMHXLPHPUQQV-UHFFFAOYSA-N |
Product Overview
2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione (CAS 70312-74-2), with molecular formula C10H7BrN2O4 and molecular weight 297.96 g/mol. IUPAC: 2-(2-bromoethyl)-5-nitroisoindole-1,3-dione.
Chemical Property Profile of 2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione
Property Insights of 2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione. Following Lipinski's Rule of Five, 2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione has 0 hydrogen bond donor(s) and 4 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-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione?
The CAS number of 2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione is 70312-74-2.
What is the molecular formula of 2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione?
The molecular formula of 2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione is C10H7BrN2O4.
What is the molecular weight of 2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione?
The molecular weight of 2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione is 297.96 g/mol.
Where can I buy 2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione?
You can request a quote for 2-(2-Bromoethyl)-5-nitro-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-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Bromoethyl)-5-nitro-1h-isoindole-1,3(2h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.