Bionet1_004180
TL;DR: Bionet1_004180 (CAS 478062-90-7) is a chemical compound with molecular formula C17H13F3N4O2S and molecular weight 394.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: Bionet1_004180, DivK1c_002676, CDS1_001636, 2-{[3-(1H-pyrrol-1-yl)-2-thienyl]carbonyl}-N-[3-(trifluoromethyl)phenyl]-1-hydrazinecarboxamide, 6P-345S
| Molecular Formula | C17H13F3N4O2S |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 4.0241 |
| Topological Polar Surface Area | 75.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.07114 |
| Heavy Atoms | 27 |
| Complexity | 951.25165 |
Chemical Identifiers
| CAS Number | 478062-90-7 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(SC=C2)C(=O)NNC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
Bionet1_004180 (CAS 478062-90-7), with molecular formula C17H13F3N4O2S and molecular weight 394.07 g/mol. IUPAC: 1-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of Bionet1_004180
Property Insights of Bionet1_004180
The XLogP value of 4.0241 indicates that Bionet1_004180 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004180. Following Lipinski's Rule of Five, Bionet1_004180 has 3 hydrogen bond donor(s) and 3 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_004180?
The CAS number of Bionet1_004180 is 478062-90-7.
What is the molecular formula of Bionet1_004180?
The molecular formula of Bionet1_004180 is C17H13F3N4O2S.
What is the molecular weight of Bionet1_004180?
The molecular weight of Bionet1_004180 is 394.07 g/mol.
Where can I buy Bionet1_004180?
You can request a quote for Bionet1_004180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004180?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.