Oxolan-2-ylmethyl 4-nitrobenzoate
TL;DR: Oxolan-2-ylmethyl 4-nitrobenzoate (CAS 4696-98-4) 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 4-nitrobenzoate
Also Known As: oxolan-2-ylmethyl 4-nitrobenzoate, (oxolan-2-yl)methyl 4-nitrobenzoate, Tetrahydro-2-furanylmethyl 4-nitrobenzoate, tetrahydrofuran-2-ylmethyl 4-nitrobenzoate, Furfuryl alcohol, tetrahydro-,p-nitrobenzoate
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 4696-98-4 |
|---|---|
| SMILES | C1CC(OC1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | IYGVERJUFJHECS-UHFFFAOYSA-N |
Product Overview
Oxolan-2-ylmethyl 4-nitrobenzoate (CAS 4696-98-4), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: oxolan-2-ylmethyl 4-nitrobenzoate.
Chemical Property Profile of Oxolan-2-ylmethyl 4-nitrobenzoate
Property Insights of Oxolan-2-ylmethyl 4-nitrobenzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxolan-2-ylmethyl 4-nitrobenzoate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxolan-2-ylmethyl 4-nitrobenzoate. Following Lipinski's Rule of Five, Oxolan-2-ylmethyl 4-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 Oxolan-2-ylmethyl 4-nitrobenzoate?
The CAS number of Oxolan-2-ylmethyl 4-nitrobenzoate is 4696-98-4.
What is the molecular formula of Oxolan-2-ylmethyl 4-nitrobenzoate?
The molecular formula of Oxolan-2-ylmethyl 4-nitrobenzoate is C12H13NO5.
What is the molecular weight of Oxolan-2-ylmethyl 4-nitrobenzoate?
The molecular weight of Oxolan-2-ylmethyl 4-nitrobenzoate is 251.08 g/mol.
Where can I buy Oxolan-2-ylmethyl 4-nitrobenzoate?
You can request a quote for Oxolan-2-ylmethyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxolan-2-ylmethyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Oxolan-2-ylmethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.