(S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate
TL;DR: (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate (CAS 1173672-33-7) is a chemical compound with molecular formula C19H25N5O3S and molecular weight 403.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S)-4-methylsulfanyl-1-oxo-1-[(2E)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]butan-2-yl]carbamate
Also Known As: (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate, {(S)-3-Methylsulfanyl-1-[1-quinoxalin-6-yl-meth-(E)-ylidene-hydrazinocarbonyl]-propyl}-carbamic acid tert-butyl ester, tert-butyl {(2S)-4-(methylsulfanyl)-1-oxo-1-[(2E)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]butan-2-yl}carbamate (non-preferred name)
| Molecular Formula | C19H25N5O3S |
|---|---|
| Molecular Weight | 403.17 g/mol |
| LogP | 2.7263 |
| Topological Polar Surface Area | 105.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.16782 |
| Heavy Atoms | 28 |
| Complexity | 850.8231 |
Chemical Identifiers
| CAS Number | 1173672-33-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)N/N=C/C1=CC2=NC=CN=C2C=C1 |
Product Overview
(S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate (CAS 1173672-33-7), with molecular formula C19H25N5O3S and molecular weight 403.17 g/mol. IUPAC: tert-butyl N-[(2S)-4-methylsulfanyl-1-oxo-1-[(2E)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]butan-2-yl]carbamate.
Chemical Property Profile of (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate
Property Insights of (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate
The XLogP value of 2.7263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate. The TPSA of 105.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate. Following Lipinski's Rule of Five, (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate has 2 hydrogen bond donor(s) and 7 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,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate?
The CAS number of (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate is 1173672-33-7.
What is the molecular formula of (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate?
The molecular formula of (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate is C19H25N5O3S.
What is the molecular weight of (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate?
The molecular weight of (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate is 403.17 g/mol.
Where can I buy (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate?
You can request a quote for (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S,E)-tert-butyl (4-(methylthio)-1-oxo-1-(2-(quinoxalin-6-ylmethylene)hydrazinyl)butan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.