Sch 47896
TL;DR: Sch 47896 (CAS 142621-29-2) is a chemical compound with molecular formula C22H26N2O7 and molecular weight 430.174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-1-[[(1S)-2-carboxy-1-hydroxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-(4-hydroxyphenyl)butanoic acid
Also Known As: Sch 47896, (125I)Sch47896, beta-Alanine, N-(N-(1-carboxy-3-(4-hydroxyphenyl)propyl)-L-phenylalanyl)-2-hydroxy-, (S-(R*,R*))-, (2S)-2-[[(2S)-1-[[(1S)-2-carboxy-1-hydroxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-(4-hydroxyphenyl)butanoic acid, N-(N-(1(5)-Carboxy-3-(4-hydroxyphenyl)propyl)-(5)-phenylalanyl)-(5)-isoserine
Technical Specifications
| Molecular Formula | C22H26N2O7 |
| Molecular Weight | 430.174 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 430.174 Da |
| Heavy Atoms | 31 |
| Complexity | 586.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](CC(=O)O)O)N[C@@H](CCC2=CC=C(C=C2)O)C(=O)O |
| InChIKey | UCONTMFOVWAEKX-FHWLQOOXSA-N |
Chemical Property Profile of Sch 47896
Property Insights of Sch 47896
The XLogP value of -0.6 indicates that Sch 47896 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting Sch 47896 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sch 47896 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Sch 47896?
The CAS number of Sch 47896 is 142621-29-2.
What is the molecular formula of Sch 47896?
The molecular formula of Sch 47896 is C22H26N2O7.
What is the molecular weight of Sch 47896?
The molecular weight of Sch 47896 is 430.174 g/mol.
Where can I buy Sch 47896?
You can request a quote for Sch 47896 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sch 47896?
Yes, CoreyChem provides custom synthesis services for Sch 47896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.