methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate
TL;DR: methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate (CAS 305863-69-8) is a chemical compound with molecular formula C22H19F3N2O4 and molecular weight 432.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-hydroxy-2-[3-methyl-4-(naphthalen-2-ylcarbamoylamino)phenyl]propanoate
Also Known As: methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate, METHYL 3,3,3-TRIFLUORO-2-HYDROXY-2-(3-METHYL-4-{[(NAPHTHALEN-2-YL)CARBAMOYL]AMINO}PHENYL)PROPANOATE, methyl 3,3,3-trifluoro-2-hydroxy-2-[3-methyl-4-(naphthalen-2-ylcarbamoylamino)phenyl]propanoate, methyl 3,3,3-trifluoro-2-hydroxy-2-{3-methyl-4-[(N-(2-naphthyl)carbamoyl)amino ]phenyl}propanoate, methyl 3,3,3-trifluoro-2-hydroxy-2-{3-methyl-4-[(naphthalen-2-ylcarbamoyl)amino]phenyl}propanoate
| Molecular Formula | C22H19F3N2O4 |
|---|---|
| Molecular Weight | 432.13 g/mol |
| LogP | 4.71512 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.1297 |
| Heavy Atoms | 31 |
| Complexity | 1147.0493 |
Chemical Identifiers
| CAS Number | 305863-69-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C(=O)OC)(C(F)(F)F)O)NC(=O)NC2=CC3=CC=CC=C3C=C2 |
Product Overview
methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate (CAS 305863-69-8), with molecular formula C22H19F3N2O4 and molecular weight 432.13 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-hydroxy-2-[3-methyl-4-(naphthalen-2-ylcarbamoylamino)phenyl]propanoate.
Chemical Property Profile of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate
Property Insights of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate
The XLogP value of 4.71512 indicates that methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate. Following Lipinski's Rule of Five, methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate has 3 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 methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate?
The CAS number of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate is 305863-69-8.
What is the molecular formula of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate?
The molecular formula of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate is C22H19F3N2O4.
What is the molecular weight of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate?
The molecular weight of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate is 432.13 g/mol.
Where can I buy methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate?
You can request a quote for methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(3-(naphthalen-2-yl)ureido)phenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.