Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone
TL;DR: Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone (CAS 187389-52-2) is a chemical compound with molecular formula C22H30FN3O7 and molecular weight 467.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-fluoro-3-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-oxopentanoate
Also Known As: z-vad-FMK, Z-VAD(OMe)-FMK, ICE-LIKE INHIBITOR, Z-Val-Ala-Asp(OMe)-FMK, Z-Val-Ala-Asp-(OMe)-FMK
| Molecular Formula | C22H30FN3O7 |
|---|---|
| Molecular Weight | 467.21 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 467.2068 |
| Heavy Atoms | 33 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 187389-52-2 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | MIFGOLAMNLSLGH-UHFFFAOYSA-N |
Product Overview
Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone (CAS 187389-52-2), with molecular formula C22H30FN3O7 and molecular weight 467.21 g/mol. IUPAC: methyl 5-fluoro-3-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-oxopentanoate.
Chemical Property Profile of Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone
Property Insights of Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone. The TPSA of 140.0 Ų indicates high polarity, suggesting Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone has 3 hydrogen bond donor(s) and 8 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 Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone?
The CAS number of Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone is 187389-52-2.
What is the molecular formula of Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone?
The molecular formula of Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone is C22H30FN3O7.
What is the molecular weight of Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone?
The molecular weight of Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone is 467.21 g/mol.
Where can I buy Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone?
You can request a quote for Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone?
Yes, KEHONG BIO provides custom synthesis services for Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.