bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane
TL;DR: bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane (CAS 6572-54-9) is a chemical compound with molecular formula C21H19N3O7 and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(2,4-dimethylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane, bicyclo[2.2.1]hepta-1,3-diene-7-spiro-1'-cyclopentane, (5E)-1-(2,4-dimethylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-(2,4-dimethylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H19N3O7 |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 2.98234 |
| Topological Polar Surface Area | 139.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.1223 |
| Heavy Atoms | 31 |
| Complexity | 1153.9026 |
Chemical Identifiers
| CAS Number | 6572-54-9 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\C(=O)NC(=O)N(C2=O)C3=C(C=C(C=C3)C)C |
Product Overview
bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane (CAS 6572-54-9), with molecular formula C21H19N3O7 and molecular weight 425.12 g/mol. IUPAC: (5E)-1-(2,4-dimethylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane
Property Insights of bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane
The XLogP value of 2.98234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane. The TPSA of 139.08 Ų falls within the moderate polarity range, balancing permeability and solubility for bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane. Following Lipinski's Rule of Five, bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane has 2 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 bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane?
The CAS number of bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane is 6572-54-9.
What is the molecular formula of bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane?
The molecular formula of bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane is C21H19N3O7.
What is the molecular weight of bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane?
The molecular weight of bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane is 425.12 g/mol.
Where can I buy bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane?
You can request a quote for bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane?
Yes, KEHONG BIO provides custom synthesis services for bicyclo<2.2.1>hepta-1,3-diene-7-spiro-1'-cyclopentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.