Vanidil
TL;DR: Vanidil (CAS 138452-22-9) is a chemical compound with molecular formula C11H11N3O12 and molecular weight 377.03427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,3-dinitrooxypropoxy)-5-methoxy-2-nitrobenzoic acid
Also Known As: Vanidil, 4-o-(1,2-Dinitroglyceryl)-6-nitrovanillic acid, 4-(2,3-dinitrooxypropoxy)-5-methoxy-2-nitrobenzoic acid, 4-[2,3-bis(nitrooxy)propoxy]-5-methoxy-2-nitrobenzoic acid, Benzoic acid, 4-(2,3-bis(nitrooxy)propoxy)-5-methoxy-2-nitro-
Technical Specifications
| Molecular Formula | C11H11N3O12 |
| Molecular Weight | 377.03427 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 212.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 377.03427 Da |
| Heavy Atoms | 26 |
| Complexity | 526.0 |
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | JRNANRLZNOMQEZ-UHFFFAOYSA-N |
Chemical Property Profile of Vanidil
Property Insights of Vanidil
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vanidil. The TPSA of 212.0 Ų indicates high polarity, suggesting Vanidil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vanidil has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Vanidil?
The CAS number of Vanidil is 138452-22-9.
What is the molecular formula of Vanidil?
The molecular formula of Vanidil is C11H11N3O12.
What is the molecular weight of Vanidil?
The molecular weight of Vanidil is 377.03427 g/mol.
Where can I buy Vanidil?
You can request a quote for Vanidil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Vanidil?
Yes, CoreyChem provides custom synthesis services for Vanidil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.