![N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide structure](/static/products/415/415691-39-3.png)
N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide
TL;DR: N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide (CAS 415691-39-3) is a chemical compound with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[amino-(3-nitrophenyl)methylidene]amino] 2-methylpropanoate
Also Known As: N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide, N'-(isobutyryloxy)-3-nitrobenzenecarboximidamide
| Molecular Formula | C11H13N3O4 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 1.4143 |
| Topological Polar Surface Area | 107.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.0906 |
| Heavy Atoms | 18 |
| Complexity | 496.81662 |
Chemical Identifiers
| CAS Number | 415691-39-3 |
|---|---|
| SMILES | CC(C)C(=O)O/N=C(/C1=CC(=CC=C1)[N+](=O)[O-])\N |
Product Overview
N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide (CAS 415691-39-3), with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol. IUPAC: [(Z)-[amino-(3-nitrophenyl)methylidene]amino] 2-methylpropanoate.
Chemical Property Profile of N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide
Property Insights of N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide
The XLogP value of 1.4143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide. The TPSA of 107.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide. Following Lipinski's Rule of Five, N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide has 1 hydrogen bond donor(s) and 5 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'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide?
The CAS number of N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide is 415691-39-3.
What is the molecular formula of N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide?
The molecular formula of N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide is C11H13N3O4.
What is the molecular weight of N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide?
The molecular weight of N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide is 251.09 g/mol.
Where can I buy N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide?
You can request a quote for N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide?
Yes, KEHONG BIO provides custom synthesis services for N'-[(2-methylpropanoyl)oxy]-3-nitrobenzenecarboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.