![N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine structure](/static/products/7006/7006-87-3.webp)
N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine
TL;DR: N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine (CAS 7006-87-3) is a chemical compound with molecular formula C17H22N4O7 and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dinitro-4-piperidin-1-ylbenzoyl)amino]-3-methylbutanoic acid
Also Known As: N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine, 2-[(3,5-dinitro-4-piperidin-1-ylbenzoyl)amino]-3-methylbutanoic acid, 2-[[3,5-dinitro-4-(1-piperidyl)benzoyl]amino]-3-methyl-butanoic Acid
| Molecular Formula | C17H22N4O7 |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 2.3323 |
| Topological Polar Surface Area | 155.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.14883 |
| Heavy Atoms | 28 |
| Complexity | 767.6908 |
Chemical Identifiers
| CAS Number | 7006-87-3 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCCCC2)[N+](=O)[O-] |
Product Overview
N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine (CAS 7006-87-3), with molecular formula C17H22N4O7 and molecular weight 394.15 g/mol. IUPAC: 2-[(3,5-dinitro-4-piperidin-1-ylbenzoyl)amino]-3-methylbutanoic acid.
Chemical Property Profile of N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine
Property Insights of N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine
The XLogP value of 2.3323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine. The TPSA of 155.92 Ų indicates high polarity, suggesting N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine has 2 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 N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine?
The CAS number of N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine is 7006-87-3.
What is the molecular formula of N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine?
The molecular formula of N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine is C17H22N4O7.
What is the molecular weight of N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine?
The molecular weight of N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine is 394.15 g/mol.
Where can I buy N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine?
You can request a quote for N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine?
Yes, KEHONG BIO provides custom synthesis services for N-[3,5-Dinitro-4-(piperidin-1-yl)benzoyl]valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.