Methyl benzoate, 6-nitro-2,3,4-methoxy-
TL;DR: Methyl benzoate, 6-nitro-2,3,4-methoxy- (CAS 1752-00-7) is a chemical compound with molecular formula C11H13NO7 and molecular weight 271.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3,4-trimethoxy-6-nitrobenzoate
Also Known As: Methyl 2,3,4-trimethoxy-6-nitrobenzoate, Methyl benzoate, 6-nitro-2,3,4-methoxy-, Meyhyl benzoate, 6-nitro-2,3,4-methoxy-, Methyl 2,3,4-trimethoxy-6-nitrobenzoate #
| Molecular Formula | C11H13NO7 |
|---|---|
| Molecular Weight | 271.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.0692 |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 1752-00-7 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)[N+](=O)[O-])C(=O)OC)OC)OC |
| InChIKey | MEUXGIGBLQIBSC-UHFFFAOYSA-N |
Product Overview
Methyl benzoate, 6-nitro-2,3,4-methoxy- (CAS 1752-00-7), with molecular formula C11H13NO7 and molecular weight 271.07 g/mol. IUPAC: methyl 2,3,4-trimethoxy-6-nitrobenzoate.
Chemical Property Profile of Methyl benzoate, 6-nitro-2,3,4-methoxy-
Property Insights of Methyl benzoate, 6-nitro-2,3,4-methoxy-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl benzoate, 6-nitro-2,3,4-methoxy-. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl benzoate, 6-nitro-2,3,4-methoxy-. Following Lipinski's Rule of Five, Methyl benzoate, 6-nitro-2,3,4-methoxy- 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 Methyl benzoate, 6-nitro-2,3,4-methoxy-?
The CAS number of Methyl benzoate, 6-nitro-2,3,4-methoxy- is 1752-00-7.
What is the molecular formula of Methyl benzoate, 6-nitro-2,3,4-methoxy-?
The molecular formula of Methyl benzoate, 6-nitro-2,3,4-methoxy- is C11H13NO7.
What is the molecular weight of Methyl benzoate, 6-nitro-2,3,4-methoxy-?
The molecular weight of Methyl benzoate, 6-nitro-2,3,4-methoxy- is 271.07 g/mol.
Where can I buy Methyl benzoate, 6-nitro-2,3,4-methoxy-?
You can request a quote for Methyl benzoate, 6-nitro-2,3,4-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl benzoate, 6-nitro-2,3,4-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Methyl benzoate, 6-nitro-2,3,4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.