L-Phenylalanine, N-(2-mercapto-1-oxopropyl)-
TL;DR: L-Phenylalanine, N-(2-mercapto-1-oxopropyl)- (CAS 57547-00-9) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-phenyl-2-(2-sulfanylpropanoylamino)propanoic acid
Also Known As: 2-mercaptopropionyl-phenylalanine, L-Phenylalanine, N-(2-mercapto-1-oxopropyl)-, N-(1-Hydroxy-2-sulfanylpropylidene)phenylalanine, N-(1-Hydroxy-2-sulfanylpropylidene)-L-phenylalanine, (2S)-3-phenyl-2-(2-sulfanylpropanoylamino)propanoic acid
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 57547-00-9 |
|---|---|
| SMILES | CC(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)S |
| InChIKey | BXXQVYQHHJUMOQ-HTLJXXAVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
L-Phenylalanine, N-(2-mercapto-1-oxopropyl)- (CAS 57547-00-9), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: (2S)-3-phenyl-2-(2-sulfanylpropanoylamino)propanoic acid.
Chemical Property Profile of L-Phenylalanine, N-(2-mercapto-1-oxopropyl)-
Property Insights of L-Phenylalanine, N-(2-mercapto-1-oxopropyl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Phenylalanine, N-(2-mercapto-1-oxopropyl)-. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Phenylalanine, N-(2-mercapto-1-oxopropyl)-. Following Lipinski's Rule of Five, L-Phenylalanine, N-(2-mercapto-1-oxopropyl)- 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
Frequently Asked Questions
What is the CAS number of L-Phenylalanine, N-(2-mercapto-1-oxopropyl)-?
The CAS number of L-Phenylalanine, N-(2-mercapto-1-oxopropyl)- is 57547-00-9.
What is the molecular formula of L-Phenylalanine, N-(2-mercapto-1-oxopropyl)-?
The molecular formula of L-Phenylalanine, N-(2-mercapto-1-oxopropyl)- is C12H15NO3S.
What is the molecular weight of L-Phenylalanine, N-(2-mercapto-1-oxopropyl)-?
The molecular weight of L-Phenylalanine, N-(2-mercapto-1-oxopropyl)- is 253.08 g/mol.
Where can I buy L-Phenylalanine, N-(2-mercapto-1-oxopropyl)-?
You can request a quote for L-Phenylalanine, N-(2-mercapto-1-oxopropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Phenylalanine, N-(2-mercapto-1-oxopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for L-Phenylalanine, N-(2-mercapto-1-oxopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.