A3891/0165446
TL;DR: A3891/0165446 (CAS 956207-95-7) is a chemical compound with molecular formula C15H15N7O4 and molecular weight 357.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide
Also Known As: A3891/0165446, 3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide, 3-[(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)METHYL]-N-[2-(2-PYRIDINYL)ETHYL]-1,2,4-OXADIAZOLE-5-CARBOXAMIDE, 3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
| Molecular Formula | C15H15N7O4 |
|---|---|
| Molecular Weight | 357.12 g/mol |
| LogP | 0.89852 |
| Topological Polar Surface Area | 141.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.11856 |
| Heavy Atoms | 26 |
| Complexity | 919.23517 |
Chemical Identifiers
| CAS Number | 956207-95-7 |
|---|---|
| SMILES | CC1=CC(=NN1CC2=NOC(=N2)C(=O)NCCC3=CC=CC=N3)[N+](=O)[O-] |
Product Overview
A3891/0165446 (CAS 956207-95-7), with molecular formula C15H15N7O4 and molecular weight 357.12 g/mol. IUPAC: 3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide.
Chemical Property Profile of A3891/0165446
Property Insights of A3891/0165446
The XLogP value of 0.89852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3891/0165446. The TPSA of 141.87 Ų indicates high polarity, suggesting A3891/0165446 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3891/0165446 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 A3891/0165446?
The CAS number of A3891/0165446 is 956207-95-7.
What is the molecular formula of A3891/0165446?
The molecular formula of A3891/0165446 is C15H15N7O4.
What is the molecular weight of A3891/0165446?
The molecular weight of A3891/0165446 is 357.12 g/mol.
Where can I buy A3891/0165446?
You can request a quote for A3891/0165446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3891/0165446?
Yes, KEHONG BIO provides custom synthesis services for A3891/0165446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.