Phenylthiohydantoin-3,4-dihydroxyphenylalanine
TL;DR: Phenylthiohydantoin-3,4-dihydroxyphenylalanine (CAS 132828-63-8) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5S)-5-[(3,4-dihydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: Pth-dopa, Gold silver sulfide, Phenylthiohydantoin-3,4-dihydroxyphenylalanine, (5S)-5-[(3,4-dihydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one, (S)-5-(3,4-Dihydroxybenzyl)-3-phenyl-2-thioxoimidazolidin-4-one
Technical Specifications
| Molecular Formula | C16H14N2O3S |
| Molecular Weight | 314.0725 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0725 Da |
| Heavy Atoms | 22 |
| Complexity | 439.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)[C@@H](NC2=S)CC3=CC(=C(C=C3)O)O |
| InChIKey | BOKLBORREWQWRR-LBPRGKRZSA-N |
Chemical Property Profile of Phenylthiohydantoin-3,4-dihydroxyphenylalanine
Property Insights of Phenylthiohydantoin-3,4-dihydroxyphenylalanine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylthiohydantoin-3,4-dihydroxyphenylalanine. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylthiohydantoin-3,4-dihydroxyphenylalanine. Following Lipinski's Rule of Five, Phenylthiohydantoin-3,4-dihydroxyphenylalanine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenylthiohydantoin-3,4-dihydroxyphenylalanine?
The CAS number of Phenylthiohydantoin-3,4-dihydroxyphenylalanine is 132828-63-8.
What is the molecular formula of Phenylthiohydantoin-3,4-dihydroxyphenylalanine?
The molecular formula of Phenylthiohydantoin-3,4-dihydroxyphenylalanine is C16H14N2O3S.
What is the molecular weight of Phenylthiohydantoin-3,4-dihydroxyphenylalanine?
The molecular weight of Phenylthiohydantoin-3,4-dihydroxyphenylalanine is 314.0725 g/mol.
Where can I buy Phenylthiohydantoin-3,4-dihydroxyphenylalanine?
You can request a quote for Phenylthiohydantoin-3,4-dihydroxyphenylalanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenylthiohydantoin-3,4-dihydroxyphenylalanine?
Yes, CoreyChem provides custom synthesis services for Phenylthiohydantoin-3,4-dihydroxyphenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.