Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate
TL;DR: Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate (CAS 52101-39-0) is a chemical compound with molecular formula C18H13NO5 and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-nitro-3,4-diphenylfuran-2-carboxylate
Also Known As: Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate, Methyl 3,4-diphenyl-5-nitro-2-furoate, NIOSH/LV1821500, M-5-N-3,4-DPFC, Methyl 5-nitro-3,4-diphenyl-furoate
| Molecular Formula | C18H13NO5 |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.07938 |
| Heavy Atoms | 24 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 52101-39-0 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(O1)[N+](=O)[O-])C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | AJKRLFVGAWNBKP-UHFFFAOYSA-N |
Product Overview
Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate (CAS 52101-39-0), with molecular formula C18H13NO5 and molecular weight 323.08 g/mol. IUPAC: methyl 5-nitro-3,4-diphenylfuran-2-carboxylate.
Chemical Property Profile of Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate
Property Insights of Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate
The XLogP value of 4.6 indicates that Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate. Following Lipinski's Rule of Five, Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate 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 Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate?
The CAS number of Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate is 52101-39-0.
What is the molecular formula of Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate?
The molecular formula of Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate is C18H13NO5.
What is the molecular weight of Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate?
The molecular weight of Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate is 323.08 g/mol.
Where can I buy Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate?
You can request a quote for Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.