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Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate
TL;DR: Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate (CAS 7605-67-6) 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 2-(2-nitrophenyl)benzoate
Also Known As: methyl 2-(2-nitrophenyl)benzoate, 2-(2-Nitrophenyl)benzoic acid methyl ester, Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate, J2.078.315J, methyl 2'-nitro-[1,1'-biphenyl]-2-carboxylate
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 7605-67-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | WXDGYVUEKOPCSW-UHFFFAOYSA-N |
Product Overview
Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate (CAS 7605-67-6), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: methyl 2-(2-nitrophenyl)benzoate.
Chemical Property Profile of Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate
Property Insights of Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate
The XLogP value of 3.2 indicates that Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate. Following Lipinski's Rule of Five, Methyl 2'-nitro[1,1'-biphenyl]-2-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 2'-nitro[1,1'-biphenyl]-2-carboxylate?
The CAS number of Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate is 7605-67-6.
What is the molecular formula of Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate?
The molecular formula of Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate is C14H11NO4.
What is the molecular weight of Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate?
The molecular weight of Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate is 257.07 g/mol.
Where can I buy Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate?
You can request a quote for Methyl 2'-nitro[1,1'-biphenyl]-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 2'-nitro[1,1'-biphenyl]-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2'-nitro[1,1'-biphenyl]-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.