A3845/0163329
TL;DR: A3845/0163329 (CAS 957033-88-4) is a chemical compound with molecular formula C13H11N7O4 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitropyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
Also Known As: A3845/0163329, 3-[(4-nitropyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide, 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide, 3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]-N-[(PYRIDIN-4-YL)METHYL]-1,2,4-OXADIAZOLE-5-CARBOXAMIDE
| Molecular Formula | C13H11N7O4 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 0.5476 |
| Topological Polar Surface Area | 141.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.08725 |
| Heavy Atoms | 24 |
| Complexity | 858.0996 |
Chemical Identifiers
| CAS Number | 957033-88-4 |
|---|---|
| SMILES | C1=CN=CC=C1CNC(=O)C2=NC(=NO2)CN3C=C(C=N3)[N+](=O)[O-] |
Product Overview
A3845/0163329 (CAS 957033-88-4), with molecular formula C13H11N7O4 and molecular weight 329.09 g/mol. IUPAC: 3-[(4-nitropyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
Chemical Property Profile of A3845/0163329
Property Insights of A3845/0163329
The XLogP value of 0.5476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3845/0163329. The TPSA of 141.87 Ų indicates high polarity, suggesting A3845/0163329 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3845/0163329 has 1 hydrogen bond donor(s) and 8 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 A3845/0163329?
The CAS number of A3845/0163329 is 957033-88-4.
What is the molecular formula of A3845/0163329?
The molecular formula of A3845/0163329 is C13H11N7O4.
What is the molecular weight of A3845/0163329?
The molecular weight of A3845/0163329 is 329.09 g/mol.
Where can I buy A3845/0163329?
You can request a quote for A3845/0163329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3845/0163329?
Yes, KEHONG BIO provides custom synthesis services for A3845/0163329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.