ChemDiv1_023566
TL;DR: ChemDiv1_023566 (CAS 475100-29-9) is a chemical compound with molecular formula C31H21NO5 and molecular weight 487.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-5-naphthalen-1-ylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: ChemDiv1_023566, 3-(3-methylphenyl)-5-(naphthalen-1-yl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 1-(3-methylphenyl)-5-naphthalen-1-ylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 3-(3-methylphenyl)-5-(naphthalen-1-yl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone, 4-(3-methylphenyl)-2-naphthylspiro[2,4,5,6,3a,6a-hexahydro-5-oxa-2-azapentalen e-6,2'-2-hydrocyclopenta[1,2-a]benzene]-1,3,9,11-tetraone
| Molecular Formula | C31H21NO5 |
|---|---|
| Molecular Weight | 487.14 g/mol |
| LogP | 4.84332 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 487.14197 |
| Heavy Atoms | 37 |
| Complexity | 1647.848 |
Chemical Identifiers
| CAS Number | 475100-29-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)C6(O2)C(=O)C7=CC=CC=C7C6=O |
Product Overview
ChemDiv1_023566 (CAS 475100-29-9), with molecular formula C31H21NO5 and molecular weight 487.14 g/mol. IUPAC: 1-(3-methylphenyl)-5-naphthalen-1-ylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.
Chemical Property Profile of ChemDiv1_023566
Property Insights of ChemDiv1_023566
The XLogP value of 4.84332 indicates that ChemDiv1_023566 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 ChemDiv1_023566. Following Lipinski's Rule of Five, ChemDiv1_023566 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023566?
The CAS number of ChemDiv1_023566 is 475100-29-9.
What is the molecular formula of ChemDiv1_023566?
The molecular formula of ChemDiv1_023566 is C31H21NO5.
What is the molecular weight of ChemDiv1_023566?
The molecular weight of ChemDiv1_023566 is 487.14 g/mol.
Where can I buy ChemDiv1_023566?
You can request a quote for ChemDiv1_023566 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023566?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023566 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.