1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea
TL;DR: 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea (CAS 941927-02-2) is a chemical compound with molecular formula C16H12F3N3O and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
Also Known As: 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea, 3-(1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]urea, 1-(1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
| Molecular Formula | C16H12F3N3O |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 4.8307 |
| Topological Polar Surface Area | 56.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.09326 |
| Heavy Atoms | 23 |
| Complexity | 837.64777 |
Chemical Identifiers
| CAS Number | 941927-02-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F |
Product Overview
1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea (CAS 941927-02-2), with molecular formula C16H12F3N3O and molecular weight 319.09 g/mol. IUPAC: 1-(1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea
Property Insights of 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea
The XLogP value of 4.8307 indicates that 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.92 Ų, 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea has 3 hydrogen bond donor(s) and 1 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 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea?
The CAS number of 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea is 941927-02-2.
What is the molecular formula of 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea?
The molecular formula of 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea is C16H12F3N3O.
What is the molecular weight of 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea?
The molecular weight of 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea is 319.09 g/mol.
Where can I buy 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea?
You can request a quote for 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-indol-3-yl)-3-(4-(trifluoromethyl)phenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.