m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate
TL;DR: m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate (CAS 2369-68-8) is a chemical compound with molecular formula C14H7F3N2O6 and molecular weight 356.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-nitro-5-(trifluoromethyl)phenyl] 4-nitrobenzoate
Also Known As: m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate, [2-nitro-5-(trifluoromethyl)phenyl] 4-nitrobenzoate, 2-Nitro-5-(trifluoromethyl)phenyl 4-nitrobenzoate
| Molecular Formula | C14H7F3N2O6 |
|---|---|
| Molecular Weight | 356.03 g/mol |
| LogP | 3.741 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.02563 |
| Heavy Atoms | 25 |
| Complexity | 848.63586 |
Chemical Identifiers
| CAS Number | 2369-68-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=C(C=CC(=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate (CAS 2369-68-8), with molecular formula C14H7F3N2O6 and molecular weight 356.03 g/mol. IUPAC: [2-nitro-5-(trifluoromethyl)phenyl] 4-nitrobenzoate.
Chemical Property Profile of m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate
Property Insights of m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate
The XLogP value of 3.741 indicates that m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate. Following Lipinski's Rule of Five, m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate has 0 hydrogen bond donor(s) and 6 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 m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate?
The CAS number of m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate is 2369-68-8.
What is the molecular formula of m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate?
The molecular formula of m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate is C14H7F3N2O6.
What is the molecular weight of m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate?
The molecular weight of m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate is 356.03 g/mol.
Where can I buy m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate?
You can request a quote for m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for m-Cresol, alpha,alpha,alpha-trifluoro-6-nitro-, p-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.