Bionet1_003718
TL;DR: Bionet1_003718 (CAS 477709-36-7) is a chemical compound with molecular formula C18H18N6S and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanyl-4-methyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole
Also Known As: Bionet1_003718, 11P-381S, ethyl 4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl sulfide, 3-ethylsulfanyl-4-methyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole, 3-(ethylsulfanyl)-4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole
| Molecular Formula | C18H18N6S |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 3.5705 |
| Topological Polar Surface Area | 53.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.13138 |
| Heavy Atoms | 25 |
| Complexity | 968.605 |
Chemical Identifiers
| CAS Number | 477709-36-7 |
|---|---|
| SMILES | CCSC1=NN=C(N1C)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4 |
Product Overview
Bionet1_003718 (CAS 477709-36-7), with molecular formula C18H18N6S and molecular weight 350.13 g/mol. IUPAC: 3-ethylsulfanyl-4-methyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole.
Chemical Property Profile of Bionet1_003718
Property Insights of Bionet1_003718
The XLogP value of 3.5705 indicates that Bionet1_003718 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.46 Ų, Bionet1_003718 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_003718 has 0 hydrogen bond donor(s) and 4 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_003718?
The CAS number of Bionet1_003718 is 477709-36-7.
What is the molecular formula of Bionet1_003718?
The molecular formula of Bionet1_003718 is C18H18N6S.
What is the molecular weight of Bionet1_003718?
The molecular weight of Bionet1_003718 is 350.13 g/mol.
Where can I buy Bionet1_003718?
You can request a quote for Bionet1_003718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003718?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.