3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one
TL;DR: 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one (CAS 58561-09-4) is a chemical compound with molecular formula C11H9BrN2O3 and molecular weight 295.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1-ethyl-[1,3]dioxolo[4,5-g]cinnolin-4-one
Also Known As: BOC VALINE METHYLESTER, 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one, 3-Bromo-1-Ethyl-1,4-Dihydro[1,3]Dioxolo[4,5-G]Cinnolin-4-One, 3-bromo-1-ethyl-[1,3]dioxolo[4,5-g]cinnolin-4-one, 3-Bromo-1-ethyl-[1,3]dioxolo[4,5-g]cinnolin-4(1H)-one
| Molecular Formula | C11H9BrN2O3 |
|---|---|
| Molecular Weight | 295.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.97964 |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 58561-09-4 |
|---|---|
| SMILES | CCN1C2=CC3=C(C=C2C(=O)C(=N1)Br)OCO3 |
| InChIKey | PEKXZCZTNAVIJC-UHFFFAOYSA-N |
Product Overview
3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one (CAS 58561-09-4), with molecular formula C11H9BrN2O3 and molecular weight 295.98 g/mol. IUPAC: 3-bromo-1-ethyl-[1,3]dioxolo[4,5-g]cinnolin-4-one.
Chemical Property Profile of 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one
Property Insights of 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one. With a topological polar surface area (TPSA) of 51.1 Ų, 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one has 0 hydrogen bond donor(s) and 5 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 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one?
The CAS number of 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one is 58561-09-4.
What is the molecular formula of 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one?
The molecular formula of 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one is C11H9BrN2O3.
What is the molecular weight of 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one?
The molecular weight of 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one is 295.98 g/mol.
Where can I buy 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one?
You can request a quote for 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1-ethyl-1,3-dioxolo(4,5-g)cinnolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.