![methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate structure](/static/products/1051/105189-44-4.webp)
methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
TL;DR: methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate (CAS 105189-44-4) is a chemical compound with molecular formula C12H10Br2F3NO4 and molecular weight 446.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
Also Known As: methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate, 3,5-DIBROMOTYROSINE TRIFLUOROACETAMIDE METHYL ESTER, (S)-Methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate, 3,5-Dibromo-N-(trifluoroacetyl)tyrosine methyl ester, 3,5-dibromo-N-trifluoroacetyl-L-tyrosine methyl ester
| Molecular Formula | C12H10Br2F3NO4 |
|---|---|
| Molecular Weight | 446.89 g/mol |
| LogP | 2.6798 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.89288 |
| Heavy Atoms | 22 |
| Complexity | 569.2195 |
Chemical Identifiers
| CAS Number | 105189-44-4 |
|---|---|
| SMILES | COC(=O)C(CC1=CC(=C(C(=C1)Br)O)Br)NC(=O)C(F)(F)F |
Product Overview
methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate (CAS 105189-44-4), with molecular formula C12H10Br2F3NO4 and molecular weight 446.89 g/mol. IUPAC: methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
Chemical Property Profile of methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
Property Insights of methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
The XLogP value of 2.6798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate. Following Lipinski's Rule of Five, methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate 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 methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The CAS number of methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate is 105189-44-4.
What is the molecular formula of methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The molecular formula of methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate is C12H10Br2F3NO4.
What is the molecular weight of methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The molecular weight of methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate is 446.89 g/mol.
Where can I buy methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
You can request a quote for methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]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-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.