A3418/0145016
TL;DR: A3418/0145016 (CAS 1005073-74-4) is a chemical compound with molecular formula C28H20N2O7 and molecular weight 496.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methyl-4-nitrophenyl)-1-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: A3418/0145016, 5-(2-methyl-4-nitrophenyl)-3-(4-methylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 5-(2-methyl-4-nitrophenyl)-1-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 5-(2-methyl-4-nitrophenyl)-3-(p-tolyl)-3,3a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(5H,6aH)-tetraone
| Molecular Formula | C28H20N2O7 |
|---|---|
| Molecular Weight | 496.13 g/mol |
| LogP | 3.90674 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 496.12704 |
| Heavy Atoms | 37 |
| Complexity | 1523.9503 |
Chemical Identifiers
| CAS Number | 1005073-74-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C=C(C=C4)[N+](=O)[O-])C)C5(O2)C(=O)C6=CC=CC=C6C5=O |
Product Overview
A3418/0145016 (CAS 1005073-74-4), with molecular formula C28H20N2O7 and molecular weight 496.13 g/mol. IUPAC: 5-(2-methyl-4-nitrophenyl)-1-(4-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.
Chemical Property Profile of A3418/0145016
Property Insights of A3418/0145016
The XLogP value of 3.90674 indicates that A3418/0145016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for A3418/0145016. Following Lipinski's Rule of Five, A3418/0145016 has 0 hydrogen bond donor(s) and 7 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 A3418/0145016?
The CAS number of A3418/0145016 is 1005073-74-4.
What is the molecular formula of A3418/0145016?
The molecular formula of A3418/0145016 is C28H20N2O7.
What is the molecular weight of A3418/0145016?
The molecular weight of A3418/0145016 is 496.13 g/mol.
Where can I buy A3418/0145016?
You can request a quote for A3418/0145016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3418/0145016?
Yes, KEHONG BIO provides custom synthesis services for A3418/0145016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.