Bionet1_003596
TL;DR: Bionet1_003596 (CAS 478033-52-2) is a chemical compound with molecular formula C21H15F3N2OS and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
Also Known As: Bionet1_003596, N'-{[3-(trifluoromethyl)phenyl]methylidene}-4H,5H-naphtho[1,2-b]thiophene-2-carbohydrazide, N'-{(E)-[3-(trifluoromethyl)phenyl]methylidene}-4,5-dihydronaphtho[1,2-b]thiophene-2-carbohydrazide, N-[[3-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
| Molecular Formula | C21H15F3N2OS |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 5.2964 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.08572 |
| Heavy Atoms | 28 |
| Complexity | 1069.5078 |
Chemical Identifiers
| CAS Number | 478033-52-2 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NN=CC4=CC(=CC=C4)C(F)(F)F |
Product Overview
Bionet1_003596 (CAS 478033-52-2), with molecular formula C21H15F3N2OS and molecular weight 400.09 g/mol. IUPAC: N-[[3-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.
Chemical Property Profile of Bionet1_003596
Property Insights of Bionet1_003596
The XLogP value of 5.2964 indicates that Bionet1_003596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.46 Ų, Bionet1_003596 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_003596 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_003596?
The CAS number of Bionet1_003596 is 478033-52-2.
What is the molecular formula of Bionet1_003596?
The molecular formula of Bionet1_003596 is C21H15F3N2OS.
What is the molecular weight of Bionet1_003596?
The molecular weight of Bionet1_003596 is 400.09 g/mol.
Where can I buy Bionet1_003596?
You can request a quote for Bionet1_003596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003596?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.