Histidine, N-TFA-2-pentafluoroethyl-, methyl ester
TL;DR: Histidine, N-TFA-2-pentafluoroethyl-, methyl ester (CAS 111838-27-8) is a chemical compound with molecular formula C11H9F8N3O3 and molecular weight 383.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazol-5-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate
Also Known As: Histidine, N-TFA-2-pentafluoroethyl-, methyl ester, Histidine, N-TFA-2-pentafluoroethyl-, methyl(ester), Methyl 3-[2-(perfluoroethyl)-1H-imidazol-5-yl]-2-[(perfluoroacetyl)amino]propanoate, methyl 3-[2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazol-5-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate, Methyl 3-[2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazol-5-yl]-2-[(trifluoroacetyl)amino]propanoate #
| Molecular Formula | C11H9F8N3O3 |
|---|---|
| Molecular Weight | 383.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.0516 |
| Heavy Atoms | 25 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 111838-27-8 |
|---|---|
| SMILES | COC(=O)C(CC1=CN=C(N1)C(C(F)(F)F)(F)F)NC(=O)C(F)(F)F |
| InChIKey | WFWIHPKLUYIALI-UHFFFAOYSA-N |
Product Overview
Histidine, N-TFA-2-pentafluoroethyl-, methyl ester (CAS 111838-27-8), with molecular formula C11H9F8N3O3 and molecular weight 383.05 g/mol. IUPAC: methyl 3-[2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazol-5-yl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
Chemical Property Profile of Histidine, N-TFA-2-pentafluoroethyl-, methyl ester
Property Insights of Histidine, N-TFA-2-pentafluoroethyl-, methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Histidine, N-TFA-2-pentafluoroethyl-, methyl ester. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Histidine, N-TFA-2-pentafluoroethyl-, methyl ester. Following Lipinski's Rule of Five, Histidine, N-TFA-2-pentafluoroethyl-, methyl ester has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Histidine, N-TFA-2-pentafluoroethyl-, methyl ester?
The CAS number of Histidine, N-TFA-2-pentafluoroethyl-, methyl ester is 111838-27-8.
What is the molecular formula of Histidine, N-TFA-2-pentafluoroethyl-, methyl ester?
The molecular formula of Histidine, N-TFA-2-pentafluoroethyl-, methyl ester is C11H9F8N3O3.
What is the molecular weight of Histidine, N-TFA-2-pentafluoroethyl-, methyl ester?
The molecular weight of Histidine, N-TFA-2-pentafluoroethyl-, methyl ester is 383.05 g/mol.
Where can I buy Histidine, N-TFA-2-pentafluoroethyl-, methyl ester?
You can request a quote for Histidine, N-TFA-2-pentafluoroethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Histidine, N-TFA-2-pentafluoroethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Histidine, N-TFA-2-pentafluoroethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.