methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate
TL;DR: methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate (CAS 354772-70-6) is a chemical compound with molecular formula C18H15ClF4N2O5 and molecular weight 450.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate
Also Known As: methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate, Methyl 2-[(5-chloro-2-methoxy-phenyl)carbamoylamino]-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate, methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate, methyl N-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,3,3-trifluoro-2-(4-fluorophenoxy)alaninate
| Molecular Formula | C18H15ClF4N2O5 |
|---|---|
| Molecular Weight | 450.06 g/mol |
| LogP | 4.1198 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.06055 |
| Heavy Atoms | 30 |
| Complexity | 923.783 |
Chemical Identifiers
| CAS Number | 354772-70-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)NC(C(=O)OC)(C(F)(F)F)OC2=CC=C(C=C2)F |
Product Overview
methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate (CAS 354772-70-6), with molecular formula C18H15ClF4N2O5 and molecular weight 450.06 g/mol. IUPAC: methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate.
Chemical Property Profile of methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate
Property Insights of methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate
The XLogP value of 4.1198 indicates that methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate 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 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate. Following Lipinski's Rule of Five, methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate 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 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate?
The CAS number of methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate is 354772-70-6.
What is the molecular formula of methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate?
The molecular formula of methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate is C18H15ClF4N2O5.
What is the molecular weight of methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate?
The molecular weight of methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate is 450.06 g/mol.
Where can I buy methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate?
You can request a quote for methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate 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-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-(5-chloro-2-methoxyphenyl)ureido)-3,3,3-trifluoro-2-(4-fluorophenoxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.