1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea
TL;DR: 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea (CAS 29015-84-7) is a chemical compound with molecular formula C17H14F3N3OS and molecular weight 365.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 1-(5,6-DIMETHYL-2-BENZOTHIAZOLYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)UREA, 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, 1-(5,6-dimethylbenzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, 3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea, 668-913-2
| Molecular Formula | C17H14F3N3OS |
|---|---|
| Molecular Weight | 365.08 g/mol |
| LogP | 5.57594 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.08096 |
| Heavy Atoms | 25 |
| Complexity | 910.95135 |
Chemical Identifiers
| CAS Number | 29015-84-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)SC(=N2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea (CAS 29015-84-7), with molecular formula C17H14F3N3OS and molecular weight 365.08 g/mol. IUPAC: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea
Property Insights of 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea
The XLogP value of 5.57594 indicates that 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea has 2 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 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea?
The CAS number of 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea is 29015-84-7.
What is the molecular formula of 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea?
The molecular formula of 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea is C17H14F3N3OS.
What is the molecular weight of 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea?
The molecular weight of 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea is 365.08 g/mol.
Where can I buy 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea?
You can request a quote for 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(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-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5,6-Dimethyl-2-benzothiazolyl)-3-(3-(trifluoromethyl)phenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.