Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate
TL;DR: Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate (CAS 361981-37-5) is a chemical compound with molecular formula C13H12F6N2O3 and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamoylamino]benzoate
Also Known As: methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate, methyl 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamoylamino]benzoate, methyl 2-{[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamoyl]amino}benzoate
| Molecular Formula | C13H12F6N2O3 |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 3.478 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.07523 |
| Heavy Atoms | 24 |
| Complexity | 612.8684 |
Chemical Identifiers
| CAS Number | 361981-37-5 |
|---|---|
| SMILES | CC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC=CC=C1C(=O)OC |
Product Overview
Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate (CAS 361981-37-5), with molecular formula C13H12F6N2O3 and molecular weight 358.08 g/mol. IUPAC: methyl 2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamoylamino]benzoate.
Chemical Property Profile of Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate
Property Insights of Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate
The XLogP value of 3.478 indicates that Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate. Following Lipinski's Rule of Five, Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate 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 Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate?
The CAS number of Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate is 361981-37-5.
What is the molecular formula of Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate?
The molecular formula of Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate is C13H12F6N2O3.
What is the molecular weight of Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate?
The molecular weight of Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate is 358.08 g/mol.
Where can I buy Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate?
You can request a quote for Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)ureido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.