Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester)
TL;DR: Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester) (CAS 40870-67-5) is a chemical compound with molecular formula C12H15NO7 and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trimethoxy-3-nitrophenyl)methyl acetate
Also Known As: (2,4,6-trimethoxy-3-nitrophenyl)methyl acetate, 2,4,6-Trimethoxy-3-nitrobenzenemethanol acetate (ester), Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester)
| Molecular Formula | C12H15NO7 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.08484 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 40870-67-5 |
|---|---|
| SMILES | CC(=O)OCC1=C(C(=C(C=C1OC)OC)[N+](=O)[O-])OC |
| InChIKey | BPIUFZIFQAGBIQ-UHFFFAOYSA-N |
Product Overview
Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester) (CAS 40870-67-5), with molecular formula C12H15NO7 and molecular weight 285.08 g/mol. IUPAC: (2,4,6-trimethoxy-3-nitrophenyl)methyl acetate.
Chemical Property Profile of Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester)
Property Insights of Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester). The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester). Following Lipinski's Rule of Five, Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester) 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 Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester)?
The CAS number of Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester) is 40870-67-5.
What is the molecular formula of Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester)?
The molecular formula of Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester) is C12H15NO7.
What is the molecular weight of Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester)?
The molecular weight of Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester) is 285.08 g/mol.
Where can I buy Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester)?
You can request a quote for Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, 2,4,6-trimethoxy-3-nitro-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.