1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
TL;DR: 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea (CAS 339359-92-1) is a chemical compound with molecular formula C19H15F7N2O3 and molecular weight 452.10 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-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea, 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea, 1-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1-(4-FLUOROPHENYL)-3-(1,1,1,3,3,3-HEXAFLUORO-2-METHYLPROPAN-2-YL)UREA
| Molecular Formula | C19H15F7N2O3 |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 5.1539 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.09708 |
| Heavy Atoms | 31 |
| Complexity | 944.4543 |
Chemical Identifiers
| CAS Number | 339359-92-1 |
|---|---|
| SMILES | CC(C(F)(F)F)(C(F)(F)F)NC(=O)N(CC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)F |
Product Overview
1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea (CAS 339359-92-1), with molecular formula C19H15F7N2O3 and molecular weight 452.10 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea.
Chemical Property Profile of 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
Property Insights of 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
The XLogP value of 5.1539 indicates that 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)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-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)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-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The CAS number of 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is 339359-92-1.
What is the molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is C19H15F7N2O3.
What is the molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
The molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea is 452.10 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
You can request a quote for 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.