N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid
TL;DR: N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid (CAS 126349-54-0) is a chemical compound with molecular formula C29H28N2O6S and molecular weight 532.1668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-anilino-4-[[2-benzyl-3-[(3-oxo-1H-2-benzofuran-1-yl)sulfanyl]propanoyl]amino]-5-oxopentanoic acid
Also Known As: N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid, Pentanoic acid, 4-((2-(((1,3-dihydro-3-oxo-1-isobenzofuranyl)thio)methyl)-1-oxo-3-phenylpropyl)amino)-5-oxo-5-(phenylamino)-, 5-anilino-4-[[2-benzyl-3-[(3-oxo-1H-2-benzofuran-1-yl)sulfanyl]propanoyl]amino]-5-oxopentanoic acid, 5-Hydroxy-4-[(1-hydroxy-2-{[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)sulfanyl]methyl}-3-phenylpropylidene)amino]-5-(phenylimino)pentanoic acid
Technical Specifications
| Molecular Formula | C29H28N2O6S |
| Molecular Weight | 532.1668 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 532.1668 Da |
| Heavy Atoms | 38 |
| Complexity | 826.0 |
| SMILES | C1=CC=C(C=C1)CC(CSC2C3=CC=CC=C3C(=O)O2)C(=O)NC(CCC(=O)O)C(=O)NC4=CC=CC=C4 |
| InChIKey | UCKIGKLABZRMHX-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid
Property Insights of N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid
The XLogP value of 4.2 indicates that N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid?
The CAS number of N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid is 126349-54-0.
What is the molecular formula of N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid?
The molecular formula of N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid is C29H28N2O6S.
What is the molecular weight of N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid?
The molecular weight of N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid is 532.1668 g/mol.
Where can I buy N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid?
You can request a quote for N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid?
Yes, CoreyChem provides custom synthesis services for N-(3-(Phthalid-3-yl)thio-2S-benzylpropionyl)-alpha-anilino-L-glutamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.