![1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea structure](/static/products/381/381194-70-3.png)
1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea
TL;DR: 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea (CAS 381194-70-3) is a chemical compound with molecular formula C21H20F6N2O3 and molecular weight 462.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea, 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea, 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-benzyl-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea, 1-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1-BENZYL-3-[1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)BUTAN-2-YL]UREA
| Molecular Formula | C21H20F6N2O3 |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | 5.4005 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.13782 |
| Heavy Atoms | 32 |
| Complexity | 932.78656 |
Chemical Identifiers
| CAS Number | 381194-70-3 |
|---|---|
| SMILES | CCC(C(F)(F)F)(C(F)(F)F)NC(=O)N(CC1=CC=CC=C1)CC2=CC3=C(C=C2)OCO3 |
Product Overview
1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea (CAS 381194-70-3), with molecular formula C21H20F6N2O3 and molecular weight 462.14 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea.
Chemical Property Profile of 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea
Property Insights of 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea
The XLogP value of 5.4005 indicates that 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea 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 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea?
The CAS number of 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea is 381194-70-3.
What is the molecular formula of 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea?
The molecular formula of 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea is C21H20F6N2O3.
What is the molecular weight of 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea?
The molecular weight of 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea is 462.14 g/mol.
Where can I buy 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea?
You can request a quote for 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzo[1,3]dioxol-5-ylmethyl-1-benzyl-3-(1,1-bis-trifluoromethyl-propyl)-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.