2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate
TL;DR: 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate (CAS 351520-19-9) is a chemical compound with molecular formula C19H20N2O6 and molecular weight 372.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4-phenylpentyl) 3,5-dinitrobenzoate
Also Known As: 2-methyl-4-phenylpentyl 3,5-dinitrobenzoate, BAS 00511962, (2-methyl-4-phenylpentyl) 3,5-dinitrobenzoate, 3,5-Dinitro-benzoic acid 2-methyl-4-phenyl-pentyl ester
| Molecular Formula | C19H20N2O6 |
|---|---|
| Molecular Weight | 372.13 g/mol |
| LogP | 4.4897 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.13214 |
| Heavy Atoms | 27 |
| Complexity | 805.09845 |
Chemical Identifiers
| CAS Number | 351520-19-9 |
|---|---|
| SMILES | CC(CC(C)C1=CC=CC=C1)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate (CAS 351520-19-9), with molecular formula C19H20N2O6 and molecular weight 372.13 g/mol. IUPAC: (2-methyl-4-phenylpentyl) 3,5-dinitrobenzoate.
Chemical Property Profile of 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate
Property Insights of 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate
The XLogP value of 4.4897 indicates that 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate 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 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate 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 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate?
The CAS number of 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate is 351520-19-9.
What is the molecular formula of 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate?
The molecular formula of 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate is C19H20N2O6.
What is the molecular weight of 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate?
The molecular weight of 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate is 372.13 g/mol.
Where can I buy 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate?
You can request a quote for 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-phenylpentyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.