1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate
TL;DR: 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate (CAS 33605-76-4) is a chemical compound with molecular formula C15H18N2O6 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-formamido-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
Also Known As: Pirisudanol, methyl n-formyl-, A-aspartylphenylalaninate, 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate, 3-formamido-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
| Molecular Formula | C15H18N2O6 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 322.1165 |
| Heavy Atoms | 23 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 33605-76-4 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC=O |
| InChIKey | OSEHTEQTVJQGDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate (CAS 33605-76-4), with molecular formula C15H18N2O6 and molecular weight 322.12 g/mol. IUPAC: 3-formamido-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate
Property Insights of 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate
The XLogP value of -0.2 indicates that 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate. Following Lipinski's Rule of Five, 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate has 3 hydrogen bond donor(s) and 6 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 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate?
The CAS number of 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate is 33605-76-4.
What is the molecular formula of 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate?
The molecular formula of 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate is C15H18N2O6.
What is the molecular weight of 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate?
The molecular weight of 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate is 322.12 g/mol.
Where can I buy 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate?
You can request a quote for 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl N-(N-formyl-L-alpha-aspartyl)-3-phenyl-L-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.