A4004/0170684
TL;DR: A4004/0170684 (CAS 956729-59-2) is a chemical compound with molecular formula C14H19N7O5 and molecular weight 365.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-morpholin-4-ylpropyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Also Known As: A4004/0170684, N-(3-morpholin-4-ylpropyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide, N-[3-(morpholin-4-yl)propyl]-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
| Molecular Formula | C14H19N7O5 |
|---|---|
| Molecular Weight | 365.14 g/mol |
| LogP | -0.3253 |
| Topological Polar Surface Area | 141.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.14478 |
| Heavy Atoms | 26 |
| Complexity | 752.45953 |
Chemical Identifiers
| CAS Number | 956729-59-2 |
|---|---|
| SMILES | C1COCCN1CCCNC(=O)C2=NC(=NO2)CN3C=CC(=N3)[N+](=O)[O-] |
Product Overview
A4004/0170684 (CAS 956729-59-2), with molecular formula C14H19N7O5 and molecular weight 365.14 g/mol. IUPAC: N-(3-morpholin-4-ylpropyl)-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
Chemical Property Profile of A4004/0170684
Property Insights of A4004/0170684
The XLogP value of -0.3253 indicates that A4004/0170684 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.45 Ų indicates high polarity, suggesting A4004/0170684 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A4004/0170684 has 1 hydrogen bond donor(s) and 9 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 A4004/0170684?
The CAS number of A4004/0170684 is 956729-59-2.
What is the molecular formula of A4004/0170684?
The molecular formula of A4004/0170684 is C14H19N7O5.
What is the molecular weight of A4004/0170684?
The molecular weight of A4004/0170684 is 365.14 g/mol.
Where can I buy A4004/0170684?
You can request a quote for A4004/0170684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4004/0170684?
Yes, KEHONG BIO provides custom synthesis services for A4004/0170684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.