BAS 00501718
TL;DR: BAS 00501718 (CAS 459789-76-5) is a chemical compound with molecular formula C26H15BrFNO5 and molecular weight 519.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-1-(3-fluorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: BAS 00501718, 5-(4-bromophenyl)-3-(3-fluorophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 2-(4-bromophenyl)-4-(3-fluorophenyl)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-(4-bromophenyl)-1-(3-fluorophenyl)-3a,6a-dihydrospiro(1H-furo[3,4-c]pyrrole-3,2'-1H-indene)-1',3',4,6(2'H,3H,5H)-tetraone, 5-(4-bromophenyl)-1-(3-fluorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
| Molecular Formula | C26H15BrFNO5 |
|---|---|
| Molecular Weight | 519.01 g/mol |
| LogP | 4.2833 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 519.0118 |
| Heavy Atoms | 34 |
| Complexity | 1383.6982 |
Chemical Identifiers
| CAS Number | 459789-76-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3(C2=O)C4C(C(O3)C5=CC(=CC=C5)F)C(=O)N(C4=O)C6=CC=C(C=C6)Br |
Product Overview
BAS 00501718 (CAS 459789-76-5), with molecular formula C26H15BrFNO5 and molecular weight 519.01 g/mol. IUPAC: 5-(4-bromophenyl)-1-(3-fluorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.
Chemical Property Profile of BAS 00501718
Property Insights of BAS 00501718
The XLogP value of 4.2833 indicates that BAS 00501718 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 00501718. Following Lipinski's Rule of Five, BAS 00501718 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 00501718?
The CAS number of BAS 00501718 is 459789-76-5.
What is the molecular formula of BAS 00501718?
The molecular formula of BAS 00501718 is C26H15BrFNO5.
What is the molecular weight of BAS 00501718?
The molecular weight of BAS 00501718 is 519.01 g/mol.
Where can I buy BAS 00501718?
You can request a quote for BAS 00501718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00501718?
Yes, KEHONG BIO provides custom synthesis services for BAS 00501718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.