benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone
TL;DR: benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone (CAS 210344-98-2) is a chemical compound with molecular formula C28H39FN4O11 and molecular weight 626.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-5-[[(2S,3R)-1-[[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid
Also Known As: Z-IETD-fmk, zIETD-fmk, z-IETD.fmk, Fluoro(Z-Ile-Glu-Thr-Asp-)methane, Z-Ile-Glu-Thr-Asp-fluoromethylketone
| Molecular Formula | C28H39FN4O11 |
|---|---|
| Molecular Weight | 626.26 g/mol |
| LogP | 0.0408 |
| Topological Polar Surface Area | 237.53 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 626.25995 |
| Heavy Atoms | 44 |
| Complexity | 1165.5076 |
Chemical Identifiers
| CAS Number | 210344-98-2 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)CF)NC(=O)OCC1=CC=CC=C1 |
Product Overview
benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone (CAS 210344-98-2), with molecular formula C28H39FN4O11 and molecular weight 626.26 g/mol. IUPAC: (4S)-5-[[(2S,3R)-1-[[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid.
Chemical Property Profile of benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone
Property Insights of benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone
The XLogP value of 0.0408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone. The TPSA of 237.53 Ų indicates high polarity, suggesting benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone?
The CAS number of benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone is 210344-98-2.
What is the molecular formula of benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone?
The molecular formula of benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone is C28H39FN4O11.
What is the molecular weight of benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone?
The molecular weight of benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone is 626.26 g/mol.
Where can I buy benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone?
You can request a quote for benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for benzyloxycarbonyl-Ile-Glu-Thr-Asp-fluoromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.