N-Acetyldehydrophenylalanyl-valyl-valine methyl ester
TL;DR: N-Acetyldehydrophenylalanyl-valyl-valine methyl ester (CAS 136767-21-0) is a chemical compound with molecular formula C22H31N3O5 and molecular weight 417.22638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[2-[[(E)-2-acetamido-3-phenylprop-2-enoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
Also Known As: Adpvvoch3, N-Ac-Dehydro-phe-val-val-och3, N-Acetyldehydrophenylalanyl-valyl-valine methyl ester, methyl 2-[[2-[[(E)-2-acetamido-3-phenylprop-2-enoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
Technical Specifications
| Molecular Formula | C22H31N3O5 |
| Molecular Weight | 417.22638 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 417.22638 Da |
| Heavy Atoms | 30 |
| Complexity | 651.0 |
| SMILES | CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C |
| InChIKey | IZHAAPCMGPZGHM-SFQUDFHCSA-N |
Chemical Property Profile of N-Acetyldehydrophenylalanyl-valyl-valine methyl ester
Property Insights of N-Acetyldehydrophenylalanyl-valyl-valine methyl ester
The XLogP value of 3.0 indicates that N-Acetyldehydrophenylalanyl-valyl-valine methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyldehydrophenylalanyl-valyl-valine methyl ester. Following Lipinski's Rule of Five, N-Acetyldehydrophenylalanyl-valyl-valine methyl ester has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-Acetyldehydrophenylalanyl-valyl-valine methyl ester?
The CAS number of N-Acetyldehydrophenylalanyl-valyl-valine methyl ester is 136767-21-0.
What is the molecular formula of N-Acetyldehydrophenylalanyl-valyl-valine methyl ester?
The molecular formula of N-Acetyldehydrophenylalanyl-valyl-valine methyl ester is C22H31N3O5.
What is the molecular weight of N-Acetyldehydrophenylalanyl-valyl-valine methyl ester?
The molecular weight of N-Acetyldehydrophenylalanyl-valyl-valine methyl ester is 417.22638 g/mol.
Where can I buy N-Acetyldehydrophenylalanyl-valyl-valine methyl ester?
You can request a quote for N-Acetyldehydrophenylalanyl-valyl-valine methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Acetyldehydrophenylalanyl-valyl-valine methyl ester?
Yes, CoreyChem provides custom synthesis services for N-Acetyldehydrophenylalanyl-valyl-valine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.