![N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea structure](/static/products/4428/442893-53-0.webp)
N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
TL;DR: N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea (CAS 442893-53-0) is a chemical compound with molecular formula C16H12ClF3N2O3 and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
Also Known As: N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea, AP-906/41928254, 1-benzyl-3-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea, BRD-A49811931-001-01-2, 1-benzyl-3-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
| Molecular Formula | C16H12ClF3N2O3 |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 3.8267 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.04886 |
| Heavy Atoms | 25 |
| Complexity | 785.9396 |
Chemical Identifiers
| CAS Number | 442893-53-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F |
Product Overview
N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea (CAS 442893-53-0), with molecular formula C16H12ClF3N2O3 and molecular weight 372.05 g/mol. IUPAC: 1-benzyl-3-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea.
Chemical Property Profile of N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
Property Insights of N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
The XLogP value of 3.8267 indicates that N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea has 2 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 N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea?
The CAS number of N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea is 442893-53-0.
What is the molecular formula of N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea?
The molecular formula of N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea is C16H12ClF3N2O3.
What is the molecular weight of N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea?
The molecular weight of N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea is 372.05 g/mol.
Where can I buy N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea?
You can request a quote for N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-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 N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N'-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.