Phenylalanyl-3-thiaphenylalanine
TL;DR: Phenylalanyl-3-thiaphenylalanine (CAS 102582-51-4) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylsulfanylacetic acid
Also Known As: Phe-3-S-phe, Phenylalanyl-3-thiaphenylalanine, J2.494.132I, N-(L-Phenylalanyl)-beta-thia-L-phenylalanine, (2S)-(L-Phenylalanylamino)(phenylsulfanyl)acetic acid
Technical Specifications
| Molecular Formula | C17H18N2O3S |
| Molecular Weight | 330.10382 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.10382 Da |
| Heavy Atoms | 23 |
| Complexity | 393.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](C(=O)O)SC2=CC=CC=C2)N |
| InChIKey | SPZCZEGVALWUIT-HOCLYGCPSA-N |
Chemical Property Profile of Phenylalanyl-3-thiaphenylalanine
Property Insights of Phenylalanyl-3-thiaphenylalanine
The XLogP value of -0.7 indicates that Phenylalanyl-3-thiaphenylalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylalanyl-3-thiaphenylalanine. Following Lipinski's Rule of Five, Phenylalanyl-3-thiaphenylalanine 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 Phenylalanyl-3-thiaphenylalanine?
The CAS number of Phenylalanyl-3-thiaphenylalanine is 102582-51-4.
What is the molecular formula of Phenylalanyl-3-thiaphenylalanine?
The molecular formula of Phenylalanyl-3-thiaphenylalanine is C17H18N2O3S.
What is the molecular weight of Phenylalanyl-3-thiaphenylalanine?
The molecular weight of Phenylalanyl-3-thiaphenylalanine is 330.10382 g/mol.
Where can I buy Phenylalanyl-3-thiaphenylalanine?
You can request a quote for Phenylalanyl-3-thiaphenylalanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenylalanyl-3-thiaphenylalanine?
Yes, CoreyChem provides custom synthesis services for Phenylalanyl-3-thiaphenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.