A3818/0162079
TL;DR: A3818/0162079 (CAS 956441-36-4) is a chemical compound with molecular formula C17H18N6O6 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Also Known As: A3818/0162079, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
| Molecular Formula | C17H18N6O6 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 1.2123 |
| Topological Polar Surface Area | 147.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 402.12878 |
| Heavy Atoms | 29 |
| Complexity | 1013.5195 |
Chemical Identifiers
| CAS Number | 956441-36-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NO2)CN3C=C(C=N3)[N+](=O)[O-])OC |
Product Overview
A3818/0162079 (CAS 956441-36-4), with molecular formula C17H18N6O6 and molecular weight 402.13 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
Chemical Property Profile of A3818/0162079
Property Insights of A3818/0162079
The XLogP value of 1.2123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3818/0162079. The TPSA of 147.44 Ų indicates high polarity, suggesting A3818/0162079 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3818/0162079 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 A3818/0162079?
The CAS number of A3818/0162079 is 956441-36-4.
What is the molecular formula of A3818/0162079?
The molecular formula of A3818/0162079 is C17H18N6O6.
What is the molecular weight of A3818/0162079?
The molecular weight of A3818/0162079 is 402.13 g/mol.
Where can I buy A3818/0162079?
You can request a quote for A3818/0162079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3818/0162079?
Yes, KEHONG BIO provides custom synthesis services for A3818/0162079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.