Emricasan
TL;DR: Emricasan (CAS 254750-02-2) is a chemical compound with molecular formula C26H27F4N3O7 and molecular weight 569.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoylamino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
Also Known As: Emricasan, PHENYLCARBAMOYLFLUORIDE, (3S)-3-[[(2S)-2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid, (S)-3-((S)-2-(2-((2-(tert-Butyl)phenyl)amino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid, (3S)-3-[[(2S)-2-[[2-(2-tert-butylanilino)-2-oxo-acetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
| Molecular Formula | C26H27F4N3O7 |
|---|---|
| Molecular Weight | 569.18 g/mol |
| LogP | 2.5913 |
| Topological Polar Surface Area | 150.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 569.1785 |
| Heavy Atoms | 40 |
| Complexity | 1301.8564 |
Chemical Identifiers
| CAS Number | 254750-02-2 |
|---|---|
| SMILES | CC(C(=O)NC(CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2C(C)(C)C |
Product Overview
Emricasan (CAS 254750-02-2), with molecular formula C26H27F4N3O7 and molecular weight 569.18 g/mol. IUPAC: 3-[2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoylamino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid.
Chemical Property Profile of Emricasan
Property Insights of Emricasan
The XLogP value of 2.5913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Emricasan. The TPSA of 150.9 Ų indicates high polarity, suggesting Emricasan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Emricasan has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Emricasan?
The CAS number of Emricasan is 254750-02-2.
What is the molecular formula of Emricasan?
The molecular formula of Emricasan is C26H27F4N3O7.
What is the molecular weight of Emricasan?
The molecular weight of Emricasan is 569.18 g/mol.
Where can I buy Emricasan?
You can request a quote for Emricasan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emricasan?
Yes, KEHONG BIO provides custom synthesis services for Emricasan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.