(S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate
TL;DR: (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate (CAS 1173676-71-5) is a chemical compound with molecular formula C15H21N5O2S and molecular weight 335.1416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-1-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-phenylethyl]carbamate
Also Known As: (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate, tert-butyl N-[(1S)-1-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-phenylethyl]carbamate
Technical Specifications
| Molecular Formula | C15H21N5O2S |
| Molecular Weight | 335.1416 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.1416 Da |
| Heavy Atoms | 23 |
| Complexity | 483.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NNC(=S)N2N |
| InChIKey | WDWDHHALZXNALT-NSHDSACASA-N |
Chemical Property Profile of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate
Property Insights of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate 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 (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate is 1173676-71-5.
What is the molecular formula of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate is C15H21N5O2S.
What is the molecular weight of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate is 335.1416 g/mol.
Where can I buy (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-2-phenylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.