BAS 00126996
TL;DR: BAS 00126996 (CAS 301655-85-6) is a chemical compound with molecular formula C22H15BrO7 and molecular weight 470.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-bromophenyl)-1',3'-dioxospiro[2H-furan-5,2'-indene]-3,4-dicarboxylate
Also Known As: BAS 00126996, dimethyl 5-(4-bromophenyl)-1',3'-dioxo-1',3'-dihydro-5H-spiro[furan-2,2'-indene]-3,4-dicarboxylate, dimethyl 2-(4-bromophenyl)-1',3'-dioxospiro[2H-furan-5,2'-indene]-3,4-dicarboxylate, 3,4-dimethyl 5-(4-bromophenyl)-1',3'-dioxo-1',3'-dihydro-5H-spiro[furan-2,2'-indene]-3,4-dicarboxylate, 3,4-DIMETHYL 5-(4-BROMOPHENYL)-1',3'-DIOXO-5H-SPIRO[FURAN-2,2'-INDENE]-3,4-DICARBOXYLATE
| Molecular Formula | C22H15BrO7 |
|---|---|
| Molecular Weight | 470.00 g/mol |
| LogP | 2.981 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.00012 |
| Heavy Atoms | 30 |
| Complexity | 1095.4299 |
Chemical Identifiers
| CAS Number | 301655-85-6 |
|---|---|
| SMILES | COC(=O)C1=C(C2(C(=O)C3=CC=CC=C3C2=O)OC1C4=CC=C(C=C4)Br)C(=O)OC |
Product Overview
BAS 00126996 (CAS 301655-85-6), with molecular formula C22H15BrO7 and molecular weight 470.00 g/mol. IUPAC: dimethyl 2-(4-bromophenyl)-1',3'-dioxospiro[2H-furan-5,2'-indene]-3,4-dicarboxylate.
Chemical Property Profile of BAS 00126996
Property Insights of BAS 00126996
The XLogP value of 2.981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00126996. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00126996. Following Lipinski's Rule of Five, BAS 00126996 has 0 hydrogen bond donor(s) and 7 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 BAS 00126996?
The CAS number of BAS 00126996 is 301655-85-6.
What is the molecular formula of BAS 00126996?
The molecular formula of BAS 00126996 is C22H15BrO7.
What is the molecular weight of BAS 00126996?
The molecular weight of BAS 00126996 is 470.00 g/mol.
Where can I buy BAS 00126996?
You can request a quote for BAS 00126996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126996?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.