3-Methoxyphenyl 2-methyl-3-nitrobenzoate
TL;DR: 3-Methoxyphenyl 2-methyl-3-nitrobenzoate (CAS 59382-89-7) is a chemical compound with molecular formula C15H13NO5 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxyphenyl) 2-methyl-3-nitrobenzoate
Also Known As: 3-methoxyphenyl 2-methyl-3-nitrobenzoate, 3-methoxyphenyl 3-nitro-2-methylbenzoate, (3-methoxyphenyl) 2-methyl-3-nitrobenzoate, BAS 00804597, 2-Methyl-3-nitro-benzoic acid 3-methoxy-phenyl ester
| Molecular Formula | C15H13NO5 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 3.13102 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.07938 |
| Heavy Atoms | 21 |
| Complexity | 696.2134 |
Chemical Identifiers
| CAS Number | 59382-89-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=CC=CC(=C2)OC |
Product Overview
3-Methoxyphenyl 2-methyl-3-nitrobenzoate (CAS 59382-89-7), with molecular formula C15H13NO5 and molecular weight 287.08 g/mol. IUPAC: (3-methoxyphenyl) 2-methyl-3-nitrobenzoate.
Chemical Property Profile of 3-Methoxyphenyl 2-methyl-3-nitrobenzoate
Property Insights of 3-Methoxyphenyl 2-methyl-3-nitrobenzoate
The XLogP value of 3.13102 indicates that 3-Methoxyphenyl 2-methyl-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxyphenyl 2-methyl-3-nitrobenzoate. Following Lipinski's Rule of Five, 3-Methoxyphenyl 2-methyl-3-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 3-Methoxyphenyl 2-methyl-3-nitrobenzoate?
The CAS number of 3-Methoxyphenyl 2-methyl-3-nitrobenzoate is 59382-89-7.
What is the molecular formula of 3-Methoxyphenyl 2-methyl-3-nitrobenzoate?
The molecular formula of 3-Methoxyphenyl 2-methyl-3-nitrobenzoate is C15H13NO5.
What is the molecular weight of 3-Methoxyphenyl 2-methyl-3-nitrobenzoate?
The molecular weight of 3-Methoxyphenyl 2-methyl-3-nitrobenzoate is 287.08 g/mol.
Where can I buy 3-Methoxyphenyl 2-methyl-3-nitrobenzoate?
You can request a quote for 3-Methoxyphenyl 2-methyl-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxyphenyl 2-methyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyphenyl 2-methyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.