BAS 00126983
TL;DR: BAS 00126983 (CAS 466683-79-4) is a chemical compound with molecular formula C30H23NO7 and molecular weight 509.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[1-(2-methylphenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate
Also Known As: BAS 00126983, BIM-0016714.P001, ethyl 4-[3-(2-methylphenyl)-1',3',4,6-tetraoxo-1',3',3a,4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl]benzoate, ethyl 4-(1',3',4,6-tetraoxo-3-(o-tolyl)-1',3a,3',4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl)benzoate, ethyl 4-[1-(2-methylphenyl)-1',3',4,6-tetraoxospiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate
| Molecular Formula | C30H23NO7 |
|---|---|
| Molecular Weight | 509.15 g/mol |
| LogP | 3.86682 |
| Topological Polar Surface Area | 107.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.14746 |
| Heavy Atoms | 38 |
| Complexity | 1505.156 |
Chemical Identifiers
| CAS Number | 466683-79-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=CC=CC=C6C |
Product Overview
BAS 00126983 (CAS 466683-79-4), with molecular formula C30H23NO7 and molecular weight 509.15 g/mol. IUPAC: ethyl 4-[1-(2-methylphenyl)-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 00126983
Property Insights of BAS 00126983
The XLogP value of 3.86682 indicates that BAS 00126983 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 00126983. Following Lipinski's Rule of Five, BAS 00126983 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 00126983?
The CAS number of BAS 00126983 is 466683-79-4.
What is the molecular formula of BAS 00126983?
The molecular formula of BAS 00126983 is C30H23NO7.
What is the molecular weight of BAS 00126983?
The molecular weight of BAS 00126983 is 509.15 g/mol.
Where can I buy BAS 00126983?
You can request a quote for BAS 00126983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126983?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.