(S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate
TL;DR: (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate (CAS 1164557-13-4) is a chemical compound with molecular formula C12H23N5O2S and molecular weight 301.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-methylbutyl]carbamate
Also Known As: (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate, tert-butyl [(1S)-1-(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]carbamate, [(S)-1-(4-Amino-5-mercapto-4H-[1,2,4]triazol-3-yl)-3-methyl-butyl]-carbamic acid tert-butyl ester, tert-butyl N-[(1S)-1-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-methylbutyl]carbamate
| Molecular Formula | C12H23N5O2S |
|---|---|
| Molecular Weight | 301.16 g/mol |
| LogP | 2.26639 |
| Topological Polar Surface Area | 97.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.15726 |
| Heavy Atoms | 20 |
| Complexity | 514.6527 |
Chemical Identifiers
| CAS Number | 1164557-13-4 |
|---|---|
| SMILES | CC(C)C[C@@H](C1=NNC(=S)N1N)NC(=O)OC(C)(C)C |
Product Overview
(S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate (CAS 1164557-13-4), with molecular formula C12H23N5O2S and molecular weight 301.16 g/mol. IUPAC: tert-butyl N-[(1S)-1-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-methylbutyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate
Property Insights of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate
The XLogP value of 2.26639 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)-3-methylbutyl)carbamate. The TPSA of 97.96 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)-3-methylbutyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)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
Frequently Asked Questions
What is the CAS number of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate?
The CAS number of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate is 1164557-13-4.
What is the molecular formula of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate is C12H23N5O2S.
What is the molecular weight of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate is 301.16 g/mol.
Where can I buy (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (1-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)-3-methylbutyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.