Boc-alanine pentafluorophenyl ester
TL;DR: Boc-alanine pentafluorophenyl ester (CAS 50903-76-9) is a chemical compound with molecular formula C14H14F5NO4 and molecular weight 355.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: Boc-ala-opfp, Boc-alanine pentafluorophenyl ester, N-Boc-Alanine (pentafluorophenyl) ester, tert-Butoxycarbonyl-alanine pentafluorophenyl ester, ((benzyloxy)carbonyl)-L-tyrosyl-L-isoleucine
| Molecular Formula | C14H14F5NO4 |
|---|---|
| Molecular Weight | 355.08 g/mol |
| LogP | 3.2007 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.0843 |
| Heavy Atoms | 24 |
| Complexity | 643.10425 |
Chemical Identifiers
| CAS Number | 50903-76-9 |
|---|---|
| SMILES | C[C@@H](C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)OC(C)(C)C |
Product Overview
Boc-alanine pentafluorophenyl ester (CAS 50903-76-9), with molecular formula C14H14F5NO4 and molecular weight 355.08 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of Boc-alanine pentafluorophenyl ester
Property Insights of Boc-alanine pentafluorophenyl ester
The XLogP value of 3.2007 indicates that Boc-alanine pentafluorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-alanine pentafluorophenyl ester. Following Lipinski's Rule of Five, Boc-alanine pentafluorophenyl ester has 1 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 Boc-alanine pentafluorophenyl ester?
The CAS number of Boc-alanine pentafluorophenyl ester is 50903-76-9.
What is the molecular formula of Boc-alanine pentafluorophenyl ester?
The molecular formula of Boc-alanine pentafluorophenyl ester is C14H14F5NO4.
What is the molecular weight of Boc-alanine pentafluorophenyl ester?
The molecular weight of Boc-alanine pentafluorophenyl ester is 355.08 g/mol.
Where can I buy Boc-alanine pentafluorophenyl ester?
You can request a quote for Boc-alanine pentafluorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-alanine pentafluorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Boc-alanine pentafluorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.