Bionet1_004863
TL;DR: Bionet1_004863 (CAS 439097-02-6) is a chemical compound with molecular formula C13H11BrF3NO4 and molecular weight 380.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide
Also Known As: Bionet1_004863, 2T-0613, N-(2-bromo-5,6-dimethoxy-3-oxo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide, N-(2-bromo-5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide
| Molecular Formula | C13H11BrF3NO4 |
|---|---|
| Molecular Weight | 380.98 g/mol |
| LogP | 2.3832 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.98236 |
| Heavy Atoms | 22 |
| Complexity | 632.4466 |
Chemical Identifiers
| CAS Number | 439097-02-6 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(C(C2=O)Br)NC(=O)C(F)(F)F)OC |
Product Overview
Bionet1_004863 (CAS 439097-02-6), with molecular formula C13H11BrF3NO4 and molecular weight 380.98 g/mol. IUPAC: N-(2-bromo-5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of Bionet1_004863
Property Insights of Bionet1_004863
The XLogP value of 2.3832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004863. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004863. Following Lipinski's Rule of Five, Bionet1_004863 has 1 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 Bionet1_004863?
The CAS number of Bionet1_004863 is 439097-02-6.
What is the molecular formula of Bionet1_004863?
The molecular formula of Bionet1_004863 is C13H11BrF3NO4.
What is the molecular weight of Bionet1_004863?
The molecular weight of Bionet1_004863 is 380.98 g/mol.
Where can I buy Bionet1_004863?
You can request a quote for Bionet1_004863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004863?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.