Bionet1_000904
TL;DR: Bionet1_000904 (CAS 338394-96-0) is a chemical compound with molecular formula C14H16N6O4S and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-[(4-nitrophenyl)methoxyimino]propanamide
Also Known As: Bionet1_000904, N-[1-methyl-5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]-3-{[(4-nitrobenzyl)oxy]imino}propanamide, N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-[(4-nitrophenyl)methoxyimino]propanamide
| Molecular Formula | C14H16N6O4S |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 1.9764 |
| Topological Polar Surface Area | 124.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.09537 |
| Heavy Atoms | 25 |
| Complexity | 774.1292 |
Chemical Identifiers
| CAS Number | 338394-96-0 |
|---|---|
| SMILES | CN1C(=NC(=N1)NC(=O)CC=NOCC2=CC=C(C=C2)[N+](=O)[O-])SC |
Product Overview
Bionet1_000904 (CAS 338394-96-0), with molecular formula C14H16N6O4S and molecular weight 364.10 g/mol. IUPAC: N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-[(4-nitrophenyl)methoxyimino]propanamide.
Chemical Property Profile of Bionet1_000904
Property Insights of Bionet1_000904
The XLogP value of 1.9764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000904. The TPSA of 124.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000904. Following Lipinski's Rule of Five, Bionet1_000904 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 Bionet1_000904?
The CAS number of Bionet1_000904 is 338394-96-0.
What is the molecular formula of Bionet1_000904?
The molecular formula of Bionet1_000904 is C14H16N6O4S.
What is the molecular weight of Bionet1_000904?
The molecular weight of Bionet1_000904 is 364.10 g/mol.
Where can I buy Bionet1_000904?
You can request a quote for Bionet1_000904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000904?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.