BAS 00458968
TL;DR: BAS 00458968 (CAS 467449-22-5) is a chemical compound with molecular formula C26H14Cl2FNO5 and molecular weight 509.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dichlorophenyl)-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 00458968, 5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 5-(3,4-dichlorophenyl)-3-(3-fluorophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 2-(3,4-dichlorophenyl)-4-(3-fluorophenyl)spiro[2,4,5,6,3a,6a-hexahydro-5-oxa-2 -azapentalene-6,2'-2-hydrocyclopenta[1,2-a]benzene]-1,3,9,11-tetraone, 5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)-3a,6a-dihydrosprio[1H-furo[3,4-c]pyrrole-3,2'-(1'H)-indene]-1',3',4,6(2'H,3H,5H)-tetrone
| Molecular Formula | C26H14Cl2FNO5 |
|---|---|
| Molecular Weight | 509.02 g/mol |
| LogP | 4.8276 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 509.02332 |
| Heavy Atoms | 35 |
| Complexity | 1453.0688 |
Chemical Identifiers
| CAS Number | 467449-22-5 |
|---|---|
| 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)Cl)Cl |
Product Overview
BAS 00458968 (CAS 467449-22-5), with molecular formula C26H14Cl2FNO5 and molecular weight 509.02 g/mol. IUPAC: 5-(3,4-dichlorophenyl)-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 00458968
Property Insights of BAS 00458968
The XLogP value of 4.8276 indicates that BAS 00458968 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 00458968. Following Lipinski's Rule of Five, BAS 00458968 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 00458968?
The CAS number of BAS 00458968 is 467449-22-5.
What is the molecular formula of BAS 00458968?
The molecular formula of BAS 00458968 is C26H14Cl2FNO5.
What is the molecular weight of BAS 00458968?
The molecular weight of BAS 00458968 is 509.02 g/mol.
Where can I buy BAS 00458968?
You can request a quote for BAS 00458968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458968?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.