3-Nitrophenyl 3,4,5-trimethoxybenzoate
TL;DR: 3-Nitrophenyl 3,4,5-trimethoxybenzoate (CAS 433255-43-7) is a chemical compound with molecular formula C16H15NO7 and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl) 3,4,5-trimethoxybenzoate
Also Known As: 3-nitrophenyl 3,4,5-trimethoxybenzoate, (3-nitrophenyl) 3,4,5-trimethoxybenzoate, AN-329/40887467
| Molecular Formula | C16H15NO7 |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.08484 |
| Heavy Atoms | 24 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 433255-43-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | VBWSJKRCLLHFEZ-UHFFFAOYSA-N |
Product Overview
3-Nitrophenyl 3,4,5-trimethoxybenzoate (CAS 433255-43-7), with molecular formula C16H15NO7 and molecular weight 333.08 g/mol. IUPAC: (3-nitrophenyl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 3-Nitrophenyl 3,4,5-trimethoxybenzoate
Property Insights of 3-Nitrophenyl 3,4,5-trimethoxybenzoate
The XLogP value of 3.1 indicates that 3-Nitrophenyl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophenyl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 3-Nitrophenyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 7 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-Nitrophenyl 3,4,5-trimethoxybenzoate?
The CAS number of 3-Nitrophenyl 3,4,5-trimethoxybenzoate is 433255-43-7.
What is the molecular formula of 3-Nitrophenyl 3,4,5-trimethoxybenzoate?
The molecular formula of 3-Nitrophenyl 3,4,5-trimethoxybenzoate is C16H15NO7.
What is the molecular weight of 3-Nitrophenyl 3,4,5-trimethoxybenzoate?
The molecular weight of 3-Nitrophenyl 3,4,5-trimethoxybenzoate is 333.08 g/mol.
Where can I buy 3-Nitrophenyl 3,4,5-trimethoxybenzoate?
You can request a quote for 3-Nitrophenyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophenyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophenyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.