Methyl 4-benzyloxy-3-nitrobenzoate
TL;DR: Methyl 4-benzyloxy-3-nitrobenzoate (CAS 135328-57-3) 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.
methyl 3-nitro-4-phenylmethoxybenzoate
Also Known As: methyl 4-(benzyloxy)-3-nitrobenzoate, METHYL 4-BENZYLOXY-3-NITROBENZOATE, methyl 3-nitro-4-phenylmethoxybenzoate, 4-Benzyloxy-3-nitro-benzoic acid methyl ester, 653-019-7
| Molecular Formula | C15H13NO5 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.07938 |
| Heavy Atoms | 21 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 135328-57-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | MIJSBCQXHMDVBQ-UHFFFAOYSA-N |
Product Overview
Methyl 4-benzyloxy-3-nitrobenzoate (CAS 135328-57-3), with molecular formula C15H13NO5 and molecular weight 287.08 g/mol. IUPAC: methyl 3-nitro-4-phenylmethoxybenzoate.
Chemical Property Profile of Methyl 4-benzyloxy-3-nitrobenzoate
Property Insights of Methyl 4-benzyloxy-3-nitrobenzoate
The XLogP value of 3.1 indicates that Methyl 4-benzyloxy-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-benzyloxy-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-benzyloxy-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 Methyl 4-benzyloxy-3-nitrobenzoate?
The CAS number of Methyl 4-benzyloxy-3-nitrobenzoate is 135328-57-3.
What is the molecular formula of Methyl 4-benzyloxy-3-nitrobenzoate?
The molecular formula of Methyl 4-benzyloxy-3-nitrobenzoate is C15H13NO5.
What is the molecular weight of Methyl 4-benzyloxy-3-nitrobenzoate?
The molecular weight of Methyl 4-benzyloxy-3-nitrobenzoate is 287.08 g/mol.
Where can I buy Methyl 4-benzyloxy-3-nitrobenzoate?
You can request a quote for Methyl 4-benzyloxy-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-benzyloxy-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-benzyloxy-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.