Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate
TL;DR: Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate (CAS 314767-54-9) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxolan-2-ylmethyl 3-nitrobenzoate
Also Known As: oxolan-2-ylmethyl 3-nitrobenzoate, tetrahydrofuran-2-ylmethyl 3-nitrobenzoate, tetrahydro-2-furanylmethyl 3-nitrobenzoate, (tetrahydrofuran-2-yl)methyl 3-nitrobenzoate
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.9306 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 453.53592 |
Chemical Identifiers
| CAS Number | 314767-54-9 |
|---|---|
| SMILES | C1CC(OC1)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate (CAS 314767-54-9), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: oxolan-2-ylmethyl 3-nitrobenzoate.
Chemical Property Profile of Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate
Property Insights of Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate
The XLogP value of 1.9306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate. Following Lipinski's Rule of Five, Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate has 0 hydrogen bond donor(s) and 5 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 Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate?
The CAS number of Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate is 314767-54-9.
What is the molecular formula of Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate?
The molecular formula of Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate is C12H13NO5.
What is the molecular weight of Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate?
The molecular weight of Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate is 251.08 g/mol.
Where can I buy Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate?
You can request a quote for Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrofuran-2-ylmethyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.