Phenol, 4-methoxy-, 1-(2-nitrobenzoate)
TL;DR: Phenol, 4-methoxy-, 1-(2-nitrobenzoate) (CAS 36718-68-0) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 2-nitrobenzoate
Also Known As: (4-methoxyphenyl) 2-nitrobenzoate, Phenol, 4-methoxy-, 1-(2-nitrobenzoate), 4-METHOXYPHENYL 2-NITROBENZOATE, RefChem:369325
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.8226 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 636.26746 |
Chemical Identifiers
| CAS Number | 36718-68-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
Phenol, 4-methoxy-, 1-(2-nitrobenzoate) (CAS 36718-68-0), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: (4-methoxyphenyl) 2-nitrobenzoate.
Chemical Property Profile of Phenol, 4-methoxy-, 1-(2-nitrobenzoate)
Property Insights of Phenol, 4-methoxy-, 1-(2-nitrobenzoate)
The XLogP value of 2.8226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 4-methoxy-, 1-(2-nitrobenzoate). The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 4-methoxy-, 1-(2-nitrobenzoate). Following Lipinski's Rule of Five, Phenol, 4-methoxy-, 1-(2-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 Phenol, 4-methoxy-, 1-(2-nitrobenzoate)?
The CAS number of Phenol, 4-methoxy-, 1-(2-nitrobenzoate) is 36718-68-0.
What is the molecular formula of Phenol, 4-methoxy-, 1-(2-nitrobenzoate)?
The molecular formula of Phenol, 4-methoxy-, 1-(2-nitrobenzoate) is C14H11NO5.
What is the molecular weight of Phenol, 4-methoxy-, 1-(2-nitrobenzoate)?
The molecular weight of Phenol, 4-methoxy-, 1-(2-nitrobenzoate) is 273.06 g/mol.
Where can I buy Phenol, 4-methoxy-, 1-(2-nitrobenzoate)?
You can request a quote for Phenol, 4-methoxy-, 1-(2-nitrobenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-methoxy-, 1-(2-nitrobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-methoxy-, 1-(2-nitrobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.