A4006/0170781
TL;DR: A4006/0170781 (CAS 956786-62-2) is a chemical compound with molecular formula C17H13IN8O4 and molecular weight 520.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-nitropyrazol-1-yl)acetamide
Also Known As: A4006/0170781, N-(4-{5-[(4-iodo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide, N-[4-[5-[(4-Iodo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4-nitro-1H-pyrazole-1-acetamide, N-[4-[5-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-nitropyrazol-1-yl)acetamide
| Molecular Formula | C17H13IN8O4 |
|---|---|
| Molecular Weight | 520.01 g/mol |
| LogP | 2.3294 |
| Topological Polar Surface Area | 146.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.01044 |
| Heavy Atoms | 30 |
| Complexity | 1196.5575 |
Chemical Identifiers
| CAS Number | 956786-62-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NOC(=N2)CN3C=C(C=N3)I)NC(=O)CN4C=C(C=N4)[N+](=O)[O-] |
Product Overview
A4006/0170781 (CAS 956786-62-2), with molecular formula C17H13IN8O4 and molecular weight 520.01 g/mol. IUPAC: N-[4-[5-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of A4006/0170781
Property Insights of A4006/0170781
The XLogP value of 2.3294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4006/0170781. The TPSA of 146.8 Ų indicates high polarity, suggesting A4006/0170781 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A4006/0170781 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4006/0170781?
The CAS number of A4006/0170781 is 956786-62-2.
What is the molecular formula of A4006/0170781?
The molecular formula of A4006/0170781 is C17H13IN8O4.
What is the molecular weight of A4006/0170781?
The molecular weight of A4006/0170781 is 520.01 g/mol.
Where can I buy A4006/0170781?
You can request a quote for A4006/0170781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4006/0170781?
Yes, KEHONG BIO provides custom synthesis services for A4006/0170781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.