(5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate
TL;DR: (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate (CAS 364741-91-3) is a chemical compound with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl 3,5-dinitrobenzoate
Also Known As: (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl 3,5-dinitrobenzoate, (5-isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate, (2-methyl-5-(prop-1-en-2-yl)cyclopent-1-en-1-yl)methyl 3,5-dinitrobenzoate
| Molecular Formula | C17H18N2O6 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 3.9624 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.1165 |
| Heavy Atoms | 25 |
| Complexity | 764.0779 |
Chemical Identifiers
| CAS Number | 364741-91-3 |
|---|---|
| SMILES | CC1=C(C(CC1)C(=C)C)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate (CAS 364741-91-3), with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol. IUPAC: (2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methyl 3,5-dinitrobenzoate.
Chemical Property Profile of (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate
Property Insights of (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate
The XLogP value of 3.9624 indicates that (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate. Following Lipinski's Rule of Five, (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate has 0 hydrogen bond donor(s) and 6 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 (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate?
The CAS number of (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate is 364741-91-3.
What is the molecular formula of (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate?
The molecular formula of (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate is C17H18N2O6.
What is the molecular weight of (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate?
The molecular weight of (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate is 346.12 g/mol.
Where can I buy (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate?
You can request a quote for (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Isopropenyl-2-methylcyclopent-1-en-1-yl)methyl 3,5-bisnitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.