N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
TL;DR: N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 799791-60-9) is a chemical compound with molecular formula C18H18IN5O3 and molecular weight 479.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine, N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine
| Molecular Formula | C18H18IN5O3 |
|---|---|
| Molecular Weight | 479.05 g/mol |
| LogP | 4.7155 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.04544 |
| Heavy Atoms | 27 |
| Complexity | 988.5758 |
Chemical Identifiers
| CAS Number | 799791-60-9 |
|---|---|
| SMILES | CC1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=C(C=C4)I |
Product Overview
N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 799791-60-9), with molecular formula C18H18IN5O3 and molecular weight 479.05 g/mol. IUPAC: N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Property Insights of N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
The XLogP value of 4.7155 indicates that N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine. Following Lipinski's Rule of Five, N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine has 1 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-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The CAS number of N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 799791-60-9.
What is the molecular formula of N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular formula of N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is C18H18IN5O3.
What is the molecular weight of N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular weight of N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 479.05 g/mol.
Where can I buy N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
You can request a quote for N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-iodophenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.