Bionet1_000329
TL;DR: Bionet1_000329 (CAS 338394-35-7) is a chemical compound with molecular formula C14H18F3N3OS3 and molecular weight 397.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2,2-bis(ethylsulfanyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea
Also Known As: Bionet1_000329, DivK1c_002345, CDS1_001305, 2-[2,2-bis(ethylsulfanyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-1-hydrazinecarbothioamide, 2C-044
| Molecular Formula | C14H18F3N3OS3 |
|---|---|
| Molecular Weight | 397.06 g/mol |
| LogP | 3.8553 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.0564 |
| Heavy Atoms | 24 |
| Complexity | 563.6859 |
Chemical Identifiers
| CAS Number | 338394-35-7 |
|---|---|
| SMILES | CCSC(C(=O)NNC(=S)NC1=CC=CC(=C1)C(F)(F)F)SCC |
Product Overview
Bionet1_000329 (CAS 338394-35-7), with molecular formula C14H18F3N3OS3 and molecular weight 397.06 g/mol. IUPAC: 1-[[2,2-bis(ethylsulfanyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of Bionet1_000329
Property Insights of Bionet1_000329
The XLogP value of 3.8553 indicates that Bionet1_000329 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, Bionet1_000329 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000329 has 3 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_000329?
The CAS number of Bionet1_000329 is 338394-35-7.
What is the molecular formula of Bionet1_000329?
The molecular formula of Bionet1_000329 is C14H18F3N3OS3.
What is the molecular weight of Bionet1_000329?
The molecular weight of Bionet1_000329 is 397.06 g/mol.
Where can I buy Bionet1_000329?
You can request a quote for Bionet1_000329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000329?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.