RefChem:1053268
TL;DR: RefChem:1053268 (CAS 63981-38-4) is a chemical compound with molecular formula C18H31N5O7 and molecular weight 429.22235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-diethyl-N-(2,4,6-trimethylphenyl)piperazine-2-carboxamide;bis(nitric acid)
Also Known As: KST-1B7018, 2-Piperazinecarboxanilide, 1,4-diethyl-2',4',6'-trimethyl-, dinitrate, 1,4-diethyl-n-(2,4,6-trimethylphenyl)piperazine-2-carboxamide nitrate(1:2), 2-Piperazinecarboxamide, 1,4-diethyl-N-(2,4,6-trimethylphenyl)-, dinitrate, 1,4-Diethyl-N-(2,4,6-trimethylphenyl)piperazine-2-carboximidic acid--nitric acid (1/2)
Technical Specifications
| Molecular Formula | C18H31N5O7 |
| Molecular Weight | 429.22235 g/mol |
| XLogP | 1.88 |
| Topological Polar Surface Area (TPSA) | 168.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.22235 Da |
| Heavy Atoms | 30 |
| Complexity | 386.0 |
| SMILES | CCN1CCN(C(C1)C(=O)NC2=C(C=C(C=C2C)C)C)CC.[N+](=O)(O)[O-].[N+](=O)(O)[O-] |
| InChIKey | YIANRXVOCWAPDK-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1053268
Property Insights of RefChem:1053268
The XLogP value of 1.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053268. The TPSA of 168.0 Ų indicates high polarity, suggesting RefChem:1053268 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1053268 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1053268?
The CAS number of RefChem:1053268 is 63981-38-4.
What is the molecular formula of RefChem:1053268?
The molecular formula of RefChem:1053268 is C18H31N5O7.
What is the molecular weight of RefChem:1053268?
The molecular weight of RefChem:1053268 is 429.22235 g/mol.
Where can I buy RefChem:1053268?
You can request a quote for RefChem:1053268 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1053268?
Yes, CoreyChem provides custom synthesis services for RefChem:1053268 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.