乙酰基-YVAD-pNA
TL;DR: 乙酰基-YVAD-pNA (CAS 149231-66-3) is a chemical compound with molecular formula C29H36N6O10 and molecular weight 628.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰基-YVAD-pNA
3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-(4-nitroanilino)-4-oxobutanoic acid
Also Known As: PNA120, Caspase-1 substrate (chromogenic), J-008571, Acetyl-tyrosyl-valyl-alanyl-aspartic Acid P-nitroanilide, N-Acetyl-L-tyrosyl-L-valyl-L-alanyl-N-(4-nitrophenyl)-L-a-asparagine
| Molecular Formula | C29H36N6O10 |
|---|---|
| Molecular Weight | 628.25 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 628.24927 |
| Heavy Atoms | 45 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 149231-66-3 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C |
| InChIKey | YDPNOCSPPGFBPX-UHFFFAOYSA-N |
Product Overview
乙酰基-YVAD-pNA (CAS 149231-66-3), with molecular formula C29H36N6O10 and molecular weight 628.25 g/mol. IUPAC: 3-[2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4-(4-nitroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 乙酰基-YVAD-pNA
Property Insights of 乙酰基-YVAD-pNA
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰基-YVAD-pNA. The TPSA of 249.0 Ų indicates high polarity, suggesting 乙酰基-YVAD-pNA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PNA120 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 PNA120?
The CAS number of PNA120 is 149231-66-3.
What is the molecular formula of PNA120?
The molecular formula of PNA120 is C29H36N6O10.
What is the molecular weight of PNA120?
The molecular weight of PNA120 is 628.25 g/mol.
Where can I buy PNA120?
You can request a quote for PNA120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PNA120?
Yes, KEHONG BIO provides custom synthesis services for PNA120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.