BAS 00416498
TL;DR: BAS 00416498 (CAS 302589-46-4) 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-(3-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 00416498, ethyl 4-[4-(3-methylphenyl)-1,3,9,11-tetraoxospiro[2,4,5,6,3a,6a-hexahydro-5-o xa-2-azapentalene-6,2'-2-hydrocyclopenta[1,2-a]benzene]-2-yl]benzoate, ethyl 4-(1',3',4,6-tetraoxo-3-(m-tolyl)-1',3a,3',4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl)benzoate, ethyl 4-(1-(3-methylphenyl)-1',3',4,6(2'H)-tetraoxo-3a,4,6,6a-tetrahydrospiro[1H-furo[3,4-c]pyrrole-3,2'-(1'H)-indene]-5(3H)-yl)benzoate, ethyl 4-[1-(3-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 | 302589-46-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=CC=CC(=C6)C |
Product Overview
BAS 00416498 (CAS 302589-46-4), with molecular formula C30H23NO7 and molecular weight 509.15 g/mol. IUPAC: ethyl 4-[1-(3-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 00416498
Property Insights of BAS 00416498
The XLogP value of 3.86682 indicates that BAS 00416498 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 00416498. Following Lipinski's Rule of Five, BAS 00416498 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 00416498?
The CAS number of BAS 00416498 is 302589-46-4.
What is the molecular formula of BAS 00416498?
The molecular formula of BAS 00416498 is C30H23NO7.
What is the molecular weight of BAS 00416498?
The molecular weight of BAS 00416498 is 509.15 g/mol.
Where can I buy BAS 00416498?
You can request a quote for BAS 00416498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00416498?
Yes, KEHONG BIO provides custom synthesis services for BAS 00416498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.