BAS 00126969
TL;DR: BAS 00126969 (CAS 497172-08-4) is a chemical compound with molecular formula C31H25NO7 and molecular weight 523.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-(4-ethylphenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate
Also Known As: BAS 00126969, ethyl 4-[4-(4-ethylphenyl)-1,3,9,11-tetraoxospiro[2,4,5,6,3a,6a-hexahydro-5-ox a-2-azapentalene-6,2'-2-hydrocyclopenta[1,2-a]benzene]-2-yl]benzoate, ethyl 4-(3-(4-ethylphenyl)-1',3',4,6-tetraoxo-1',3a,3',4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl)benzoate, ethyl 4-[1-(4-ethylphenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate
| Molecular Formula | C31H25NO7 |
|---|---|
| Molecular Weight | 523.16 g/mol |
| LogP | 4.1208 |
| Topological Polar Surface Area | 107.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 523.1631 |
| Heavy Atoms | 39 |
| Complexity | 1504.8619 |
Chemical Identifiers
| CAS Number | 497172-08-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC)C5(O2)C(=O)C6=CC=CC=C6C5=O |
Product Overview
BAS 00126969 (CAS 497172-08-4), with molecular formula C31H25NO7 and molecular weight 523.16 g/mol. IUPAC: ethyl 4-[1-(4-ethylphenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate.
Chemical Property Profile of BAS 00126969
Property Insights of BAS 00126969
The XLogP value of 4.1208 indicates that BAS 00126969 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 00126969. Following Lipinski's Rule of Five, BAS 00126969 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00126969?
The CAS number of BAS 00126969 is 497172-08-4.
What is the molecular formula of BAS 00126969?
The molecular formula of BAS 00126969 is C31H25NO7.
What is the molecular weight of BAS 00126969?
The molecular weight of BAS 00126969 is 523.16 g/mol.
Where can I buy BAS 00126969?
You can request a quote for BAS 00126969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126969?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.