BAS 00126950
TL;DR: BAS 00126950 (CAS 297149-69-0) is a chemical compound with molecular formula C27H18BrNO5 and molecular weight 515.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-bromophenyl)-1-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: BAS 00126950, 5-(2-bromophenyl)-3-(4-methylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 2-(2-bromophenyl)-4-(4-methylphenyl)spiro[2,4,5,6,3a,6a-hexahydro-5-oxa-2-azap entalene-6,2'-2-hydrocyclopenta[1,2-a]benzene]-1,3,9,11-tetraone, 5-(2-bromophenyl)-1-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 5-(2-BROMOPHENYL)-3-(4-METHYLPHENYL)-1',3,3',3A,4,5,6,6A-OCTAHYDROSPIRO[FURO[3,4-C]PYRROLE-1,2'-INDENE]-1',3',4,6-TETRONE
| Molecular Formula | C27H18BrNO5 |
|---|---|
| Molecular Weight | 515.04 g/mol |
| LogP | 4.45262 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 515.03687 |
| Heavy Atoms | 34 |
| Complexity | 1377.5277 |
Chemical Identifiers
| CAS Number | 297149-69-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4Br)C5(O2)C(=O)C6=CC=CC=C6C5=O |
Product Overview
BAS 00126950 (CAS 297149-69-0), with molecular formula C27H18BrNO5 and molecular weight 515.04 g/mol. IUPAC: 5-(2-bromophenyl)-1-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.
Chemical Property Profile of BAS 00126950
Property Insights of BAS 00126950
The XLogP value of 4.45262 indicates that BAS 00126950 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00126950. Following Lipinski's Rule of Five, BAS 00126950 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00126950?
The CAS number of BAS 00126950 is 297149-69-0.
What is the molecular formula of BAS 00126950?
The molecular formula of BAS 00126950 is C27H18BrNO5.
What is the molecular weight of BAS 00126950?
The molecular weight of BAS 00126950 is 515.04 g/mol.
Where can I buy BAS 00126950?
You can request a quote for BAS 00126950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126950?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.