![Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate structure](/static/products/4380/438015-48-6.webp)
Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate
TL;DR: Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate (CAS 438015-48-6) is a chemical compound with molecular formula C17H13F3N2O5 and molecular weight 382.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate
Also Known As: F1023-0178, BRD-K69089987-001-01-1, methyl 4-({[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamoyl}amino)benzoate, methyl 4-(3-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)ureido)benzoate, methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate
| Molecular Formula | C17H13F3N2O5 |
|---|---|
| Molecular Weight | 382.08 g/mol |
| LogP | 3.2822 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.07767 |
| Heavy Atoms | 27 |
| Complexity | 842.61774 |
Chemical Identifiers
| CAS Number | 438015-48-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F |
Product Overview
Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate (CAS 438015-48-6), with molecular formula C17H13F3N2O5 and molecular weight 382.08 g/mol. IUPAC: methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate.
Chemical Property Profile of Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate
Property Insights of Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate
The XLogP value of 3.2822 indicates that Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate has 2 hydrogen bond donor(s) and 5 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 Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate?
The CAS number of Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate is 438015-48-6.
What is the molecular formula of Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate?
The molecular formula of Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate is C17H13F3N2O5.
What is the molecular weight of Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate?
The molecular weight of Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate is 382.08 g/mol.
Where can I buy Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate?
You can request a quote for Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.