BAS 00722050
TL;DR: BAS 00722050 (CAS 498529-71-8) is a chemical compound with molecular formula C29H20FNO7 and molecular weight 513.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[6-(4-fluorophenyl)-1,1',3,3'-tetraoxospiro[6,6a-dihydro-3aH-furo[3,4-c]pyrrole-4,2'-indene]-5-yl]benzoate
Also Known As: BAS 00722050, ethyl 4-(6-(4-fluorophenyl)-1,1',3,3'-tetraoxo-1',3,3a,3',6,6a-hexahydrospiro[furo[3,4-c]pyrrole-4,2'-inden]-5(1H)-yl)benzoate, ethyl 4-[6-(4-fluorophenyl)-1,1',3,3'-tetraoxo-1',3,3',3a,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-4,2'-inden]-5(1H)-yl]benzoate, ethyl 4-[6-(4-fluorophenyl)-1,1',3,3'-tetraoxospiro[6,6a-dihydro-3aH-furo[3,4-c]pyrrole-4,2'-indene]-5-yl]benzoate
| Molecular Formula | C29H20FNO7 |
|---|---|
| Molecular Weight | 513.12 g/mol |
| LogP | 3.6975 |
| Topological Polar Surface Area | 107.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.1224 |
| Heavy Atoms | 38 |
| Complexity | 1494.2312 |
Chemical Identifiers
| CAS Number | 498529-71-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(C3C(C24C(=O)C5=CC=CC=C5C4=O)C(=O)OC3=O)C6=CC=C(C=C6)F |
Product Overview
BAS 00722050 (CAS 498529-71-8), with molecular formula C29H20FNO7 and molecular weight 513.12 g/mol. IUPAC: ethyl 4-[6-(4-fluorophenyl)-1,1',3,3'-tetraoxospiro[6,6a-dihydro-3aH-furo[3,4-c]pyrrole-4,2'-indene]-5-yl]benzoate.
Chemical Property Profile of BAS 00722050
Property Insights of BAS 00722050
The XLogP value of 3.6975 indicates that BAS 00722050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00722050. Following Lipinski's Rule of Five, BAS 00722050 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00722050?
The CAS number of BAS 00722050 is 498529-71-8.
What is the molecular formula of BAS 00722050?
The molecular formula of BAS 00722050 is C29H20FNO7.
What is the molecular weight of BAS 00722050?
The molecular weight of BAS 00722050 is 513.12 g/mol.
Where can I buy BAS 00722050?
You can request a quote for BAS 00722050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00722050?
Yes, KEHONG BIO provides custom synthesis services for BAS 00722050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.