2,4,6-三甲氧基苯甲腈N-氧化物
TL;DR: 2,4,6-三甲氧基苯甲腈N-氧化物 (CAS 2904-59-8) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-三甲氧基苯甲腈N-氧化物
2,4,6-trimethoxybenzonitrile oxide
Also Known As: 2,4,6-trimethoxybenzonitrile oxide, Benzonitrile, 2,4,6-trimethoxy-, N-oxide, 2,4,6-Trimethoxybenzonitrileoxide, Benzonitrile,2,4,6-trimethoxy-N-oxide, 2,4,6-trimethoxy-benzonitrile oxide
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 2904-59-8 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)OC)C#[N+][O-])OC |
| InChIKey | XQLOMRZVKOWINK-UHFFFAOYSA-N |
Product Overview
2,4,6-三甲氧基苯甲腈N-氧化物 (CAS 2904-59-8), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 2,4,6-trimethoxybenzonitrile oxide.
Chemical Property Profile of 2,4,6-三甲氧基苯甲腈N-氧化物
Property Insights of 2,4,6-三甲氧基苯甲腈N-氧化物
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-三甲氧基苯甲腈N-氧化物. With a topological polar surface area (TPSA) of 58.4 Ų, 2,4,6-三甲氧基苯甲腈N-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-三甲氧基苯甲腈N-氧化物 has 0 hydrogen bond donor(s) and 4 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 2,4,6-三甲氧基苯甲腈N-氧化物?
The CAS number of 2,4,6-三甲氧基苯甲腈N-氧化物 is 2904-59-8.
What is the molecular formula of 2,4,6-三甲氧基苯甲腈N-氧化物?
The molecular formula of 2,4,6-三甲氧基苯甲腈N-氧化物 is C10H11NO4.
What is the molecular weight of 2,4,6-三甲氧基苯甲腈N-氧化物?
The molecular weight of 2,4,6-三甲氧基苯甲腈N-氧化物 is 209.07 g/mol.
Where can I buy 2,4,6-三甲氧基苯甲腈N-氧化物?
You can request a quote for 2,4,6-三甲氧基苯甲腈N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-三甲氧基苯甲腈N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-三甲氧基苯甲腈N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.