Phenol-alanine sparsomycin
TL;DR: Phenol-alanine sparsomycin (CAS 132338-41-1) is a chemical compound with molecular formula C17H19N3O5S and molecular weight 377.10455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[(2S)-1-[(R)-(4-hydroxyphenyl)sulfinyl]propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
Also Known As: PH-Ala-SP, Phenol-alanine sparsomycin, methyl 2-[2-(2,6-dimethoxyphenyl)ethynyl]benzoate, (E)-N-[(2S)-1-[(R)-(4-hydroxyphenyl)sulfinyl]propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
Technical Specifications
| Molecular Formula | C17H19N3O5S |
| Molecular Weight | 377.10455 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.10455 Da |
| Heavy Atoms | 26 |
| Complexity | 665.0 |
| SMILES | CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](C)C[S@@](=O)C2=CC=C(C=C2)O |
| InChIKey | GTCPMRXZNYLTKA-DNDSYUBISA-N |
Chemical Property Profile of Phenol-alanine sparsomycin
Property Insights of Phenol-alanine sparsomycin
The XLogP value of -0.1 indicates that Phenol-alanine sparsomycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting Phenol-alanine sparsomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol-alanine sparsomycin has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenol-alanine sparsomycin?
The CAS number of Phenol-alanine sparsomycin is 132338-41-1.
What is the molecular formula of Phenol-alanine sparsomycin?
The molecular formula of Phenol-alanine sparsomycin is C17H19N3O5S.
What is the molecular weight of Phenol-alanine sparsomycin?
The molecular weight of Phenol-alanine sparsomycin is 377.10455 g/mol.
Where can I buy Phenol-alanine sparsomycin?
You can request a quote for Phenol-alanine sparsomycin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenol-alanine sparsomycin?
Yes, CoreyChem provides custom synthesis services for Phenol-alanine sparsomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.