![methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate structure](/static/products/330/330831-67-9.png)
methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate
TL;DR: methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate (CAS 330831-67-9) is a chemical compound with molecular formula C22H19F9N2O4 and molecular weight 546.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-[4-[[1,1,1,3,3,3-hexafluoro-2-[(4-methylbenzoyl)amino]propan-2-yl]amino]-3-methylphenyl]-2-hydroxypropanoate
Also Known As: methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate, (R)-methyl 3,3,3-trifluoro-2-(4-((1,1,1,3,3,3-hexafluoro-2-(4-methylbenzamido)propan-2-yl)amino)-3-methylphenyl)-2-hydroxypropanoate, methyl 3,3,3-trifluoro-2-[4-[[1,1,1,3,3,3-hexafluoro-2-[(4-methylbenzoyl)amino]propan-2-yl]amino]-3-methylphenyl]-2-hydroxypropanoate
| Molecular Formula | C22H19F9N2O4 |
|---|---|
| Molecular Weight | 546.12 g/mol |
| LogP | 4.88914 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 546.1201 |
| Heavy Atoms | 37 |
| Complexity | 1144.7119 |
Chemical Identifiers
| CAS Number | 330831-67-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=C(C=C(C=C2)C(C(=O)OC)(C(F)(F)F)O)C |
Product Overview
methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate (CAS 330831-67-9), with molecular formula C22H19F9N2O4 and molecular weight 546.12 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-[4-[[1,1,1,3,3,3-hexafluoro-2-[(4-methylbenzoyl)amino]propan-2-yl]amino]-3-methylphenyl]-2-hydroxypropanoate.
Chemical Property Profile of methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate
Property Insights of methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate
The XLogP value of 4.88914 indicates that methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate 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-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate. Following Lipinski's Rule of Five, methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate?
The CAS number of methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate is 330831-67-9.
What is the molecular formula of methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate?
The molecular formula of methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate is C22H19F9N2O4.
What is the molecular weight of methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate?
The molecular weight of methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate is 546.12 g/mol.
Where can I buy methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate?
You can request a quote for methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate 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-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,3,3-trifluoro-2-{4-[(1,1,1,3,3,3-hexafluoro-2-{[(4-methylphenyl)carbonyl]amino}propan-2-yl)amino]-3-methylphenyl}-2-hydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.