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Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate
TL;DR: Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate (CAS 5730-75-6) is a chemical compound with molecular formula C14H11NO4 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-nitrophenyl)benzoate
Also Known As: methyl 4-(4-nitrophenyl)benzoate, methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate, Methyl 4'-nitro-[1,1'-biphenyl]-4-carboxylate, IFLAB-BB F2108-0025, methyl 4'-nitrobiphenyl-4-carboxylate
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.0484 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 602.348 |
Chemical Identifiers
| CAS Number | 5730-75-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate (CAS 5730-75-6), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: methyl 4-(4-nitrophenyl)benzoate.
Chemical Property Profile of Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate
Property Insights of Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate
The XLogP value of 3.0484 indicates that Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate. Following Lipinski's Rule of Five, Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate has 0 hydrogen bond donor(s) and 4 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 4'-nitro[1,1'-biphenyl]-4-carboxylate?
The CAS number of Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate is 5730-75-6.
What is the molecular formula of Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate?
The molecular formula of Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate is C14H11NO4.
What is the molecular weight of Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate?
The molecular weight of Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate is 257.07 g/mol.
Where can I buy Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate?
You can request a quote for Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.