A3856/0163728
TL;DR: A3856/0163728 (CAS 956243-31-5) is a chemical compound with molecular formula C15H12N6O6 and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Also Known As: A3856/0163728, N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide, N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]-1,2,4-OXADIAZOLE-5-CARBOXAMIDE
| Molecular Formula | C15H12N6O6 |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 0.8813 |
| Topological Polar Surface Area | 147.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.08182 |
| Heavy Atoms | 27 |
| Complexity | 1011.90344 |
Chemical Identifiers
| CAS Number | 956243-31-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC(=NO3)CN4C=C(C=N4)[N+](=O)[O-] |
Product Overview
A3856/0163728 (CAS 956243-31-5), with molecular formula C15H12N6O6 and molecular weight 372.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
Chemical Property Profile of A3856/0163728
Property Insights of A3856/0163728
The XLogP value of 0.8813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3856/0163728. The TPSA of 147.44 Ų indicates high polarity, suggesting A3856/0163728 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3856/0163728 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 A3856/0163728?
The CAS number of A3856/0163728 is 956243-31-5.
What is the molecular formula of A3856/0163728?
The molecular formula of A3856/0163728 is C15H12N6O6.
What is the molecular weight of A3856/0163728?
The molecular weight of A3856/0163728 is 372.08 g/mol.
Where can I buy A3856/0163728?
You can request a quote for A3856/0163728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3856/0163728?
Yes, KEHONG BIO provides custom synthesis services for A3856/0163728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.