Bionet1_004081
TL;DR: Bionet1_004081 (CAS 478066-89-6) is a chemical compound with molecular formula C21H21N3OS and molecular weight 363.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-4-(4-methylphenyl)sulfanyl-5-(prop-2-enylamino)pyridazin-3-one
Also Known As: Bionet1_004081, DivK1c_002577, 5-(allylamino)-2-(4-methylphenyl)-4-[(4-methylphenyl)sulfanyl]-3(2H)-pyridazinone, CDS1_001537, 2-(4-methylphenyl)-4-(4-methylphenyl)sulfanyl-5-(prop-2-enylamino)pyridazin-3-one
| Molecular Formula | C21H21N3OS |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 4.59844 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.14053 |
| Heavy Atoms | 26 |
| Complexity | 960.0415 |
Chemical Identifiers
| CAS Number | 478066-89-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)NCC=C)SC3=CC=C(C=C3)C |
Product Overview
Bionet1_004081 (CAS 478066-89-6), with molecular formula C21H21N3OS and molecular weight 363.14 g/mol. IUPAC: 2-(4-methylphenyl)-4-(4-methylphenyl)sulfanyl-5-(prop-2-enylamino)pyridazin-3-one.
Chemical Property Profile of Bionet1_004081
Property Insights of Bionet1_004081
The XLogP value of 4.59844 indicates that Bionet1_004081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, Bionet1_004081 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004081 has 1 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_004081?
The CAS number of Bionet1_004081 is 478066-89-6.
What is the molecular formula of Bionet1_004081?
The molecular formula of Bionet1_004081 is C21H21N3OS.
What is the molecular weight of Bionet1_004081?
The molecular weight of Bionet1_004081 is 363.14 g/mol.
Where can I buy Bionet1_004081?
You can request a quote for Bionet1_004081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004081?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.