乙酰基-YVAD-AMC
TL;DR: 乙酰基-YVAD-AMC (CAS 149231-65-2) is a chemical compound with molecular formula C33H39N5O10 and molecular weight 665.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰基-YVAD-AMC
3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid
Also Known As: Acetyl-YVAD-AMC, acetyl-YVAD-aminomethyl coumarine, ICE (CASPASE I) SUBSTRATE III, IL-1 beta Converting Enzyme Fluorogenic Substrate, N-Acetyl-Tyr-Val-Ala-Asp-7-amido-4-methylcoumarin
| Molecular Formula | C33H39N5O10 |
|---|---|
| Molecular Weight | 665.27 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 229.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 665.2697 |
| Heavy Atoms | 48 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 149231-65-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C |
| InChIKey | YGLOALWHJIANIH-UHFFFAOYSA-N |
Product Overview
乙酰基-YVAD-AMC (CAS 149231-65-2), with molecular formula C33H39N5O10 and molecular weight 665.27 g/mol. IUPAC: 3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 乙酰基-YVAD-AMC
Property Insights of 乙酰基-YVAD-AMC
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰基-YVAD-AMC. The TPSA of 229.0 Ų indicates high polarity, suggesting 乙酰基-YVAD-AMC may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetyl-YVAD-AMC has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetyl-YVAD-AMC?
The CAS number of Acetyl-YVAD-AMC is 149231-65-2.
What is the molecular formula of Acetyl-YVAD-AMC?
The molecular formula of Acetyl-YVAD-AMC is C33H39N5O10.
What is the molecular weight of Acetyl-YVAD-AMC?
The molecular weight of Acetyl-YVAD-AMC is 665.27 g/mol.
Where can I buy Acetyl-YVAD-AMC?
You can request a quote for Acetyl-YVAD-AMC directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl-YVAD-AMC?
Yes, KEHONG BIO provides custom synthesis services for Acetyl-YVAD-AMC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.