(Oxolan-2-YL)methyl 3,5-dinitrobenzoate
TL;DR: (Oxolan-2-YL)methyl 3,5-dinitrobenzoate (CAS 92902-61-9) is a chemical compound with molecular formula C12H12N2O7 and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxolan-2-ylmethyl 3,5-dinitrobenzoate
Also Known As: oxolan-2-ylmethyl 3,5-dinitrobenzoate, (OXOLAN-2-YL)METHYL 3,5-DINITROBENZOATE, 3,5-dinitrobenzoic acid,oxolan-2-ylmethanol, A0685/0031923
| Molecular Formula | C12H12N2O7 |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 1.8388 |
| Topological Polar Surface Area | 121.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.06445 |
| Heavy Atoms | 21 |
| Complexity | 548.7187 |
Chemical Identifiers
| CAS Number | 92902-61-9 |
|---|---|
| SMILES | C1CC(OC1)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(Oxolan-2-YL)methyl 3,5-dinitrobenzoate (CAS 92902-61-9), with molecular formula C12H12N2O7 and molecular weight 296.06 g/mol. IUPAC: oxolan-2-ylmethyl 3,5-dinitrobenzoate.
Chemical Property Profile of (Oxolan-2-YL)methyl 3,5-dinitrobenzoate
Property Insights of (Oxolan-2-YL)methyl 3,5-dinitrobenzoate
The XLogP value of 1.8388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Oxolan-2-YL)methyl 3,5-dinitrobenzoate. The TPSA of 121.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (Oxolan-2-YL)methyl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, (Oxolan-2-YL)methyl 3,5-dinitrobenzoate 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 (Oxolan-2-YL)methyl 3,5-dinitrobenzoate?
The CAS number of (Oxolan-2-YL)methyl 3,5-dinitrobenzoate is 92902-61-9.
What is the molecular formula of (Oxolan-2-YL)methyl 3,5-dinitrobenzoate?
The molecular formula of (Oxolan-2-YL)methyl 3,5-dinitrobenzoate is C12H12N2O7.
What is the molecular weight of (Oxolan-2-YL)methyl 3,5-dinitrobenzoate?
The molecular weight of (Oxolan-2-YL)methyl 3,5-dinitrobenzoate is 296.06 g/mol.
Where can I buy (Oxolan-2-YL)methyl 3,5-dinitrobenzoate?
You can request a quote for (Oxolan-2-YL)methyl 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 (Oxolan-2-YL)methyl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Oxolan-2-YL)methyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.