![1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea structure](/static/products/5011/501110-91-4.webp)
1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea
TL;DR: 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea (CAS 501110-91-4) is a chemical compound with molecular formula C16H12ClF3N2O4 and molecular weight 388.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea
Also Known As: 1-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea, AP-906/41928098, N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-N'-(2-methoxyphenyl)urea, 3-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-(2-methoxyphenyl)urea
| Molecular Formula | C16H12ClF3N2O4 |
|---|---|
| Molecular Weight | 388.04 g/mol |
| LogP | 4.1576 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.04376 |
| Heavy Atoms | 26 |
| Complexity | 846.48486 |
Chemical Identifiers
| CAS Number | 501110-91-4 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)NC2(OC3=C(O2)C=C(C=C3)Cl)C(F)(F)F |
Product Overview
1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea (CAS 501110-91-4), with molecular formula C16H12ClF3N2O4 and molecular weight 388.04 g/mol. IUPAC: 1-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea.
Chemical Property Profile of 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea
Property Insights of 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea
The XLogP value of 4.1576 indicates that 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea. Following Lipinski's Rule of Five, 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea has 2 hydrogen bond donor(s) and 4 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-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea?
The CAS number of 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea is 501110-91-4.
What is the molecular formula of 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea?
The molecular formula of 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea is C16H12ClF3N2O4.
What is the molecular weight of 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea?
The molecular weight of 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea is 388.04 g/mol.
Where can I buy 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea?
You can request a quote for 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)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-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-Chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(2-methoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.