BAS 00584729
TL;DR: BAS 00584729 (CAS 485754-70-9) is a chemical compound with molecular formula C26H14BrCl2NO5 and molecular weight 568.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromophenyl)-5-(3,4-dichlorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: BAS 00584729, 3-(3-bromophenyl)-5-(3,4-dichlorophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 5-(3,4-dichlorophenyl)-3-(3-bromophenyl)-4,6-dioxohexahydrospiro(1H-furo[3,4-c]pyrrole-1,2'-[1,3]-dioxoindane), 1-(3-bromophenyl)-5-(3,4-dichlorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 2-(3,4-dichlorophenyl)-4-(3-bromophenyl)spiro[2,4,5,6,3a,6a-hexahydro-5-oxa-2- azapentalene-6,2'-2-hydrocyclopenta[1,2-a]benzene]-1,3,9,11-tetraone
| Molecular Formula | C26H14BrCl2NO5 |
|---|---|
| Molecular Weight | 568.94 g/mol |
| LogP | 5.451 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 568.94324 |
| Heavy Atoms | 35 |
| Complexity | 1453.0688 |
Chemical Identifiers
| CAS Number | 485754-70-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3(C2=O)C4C(C(O3)C5=CC(=CC=C5)Br)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)Cl |
Product Overview
BAS 00584729 (CAS 485754-70-9), with molecular formula C26H14BrCl2NO5 and molecular weight 568.94 g/mol. IUPAC: 1-(3-bromophenyl)-5-(3,4-dichlorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.
Chemical Property Profile of BAS 00584729
Property Insights of BAS 00584729
The XLogP value of 5.451 indicates that BAS 00584729 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 00584729. Following Lipinski's Rule of Five, BAS 00584729 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 00584729?
The CAS number of BAS 00584729 is 485754-70-9.
What is the molecular formula of BAS 00584729?
The molecular formula of BAS 00584729 is C26H14BrCl2NO5.
What is the molecular weight of BAS 00584729?
The molecular weight of BAS 00584729 is 568.94 g/mol.
Where can I buy BAS 00584729?
You can request a quote for BAS 00584729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00584729?
Yes, KEHONG BIO provides custom synthesis services for BAS 00584729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.