(S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate
TL;DR: (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate (CAS 356522-44-6) is a chemical compound with molecular formula C27H34N2O6S2 and molecular weight 546.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
Also Known As: (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate, [6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate, 6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)-L-methioninate
| Molecular Formula | C27H34N2O6S2 |
|---|---|
| Molecular Weight | 546.19 g/mol |
| LogP | 6.11932 |
| Topological Polar Surface Area | 107.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 546.18585 |
| Heavy Atoms | 37 |
| Complexity | 1308.4491 |
Chemical Identifiers
| CAS Number | 356522-44-6 |
|---|---|
| SMILES | CCCCC1=CC2=C(C=C1OC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)OC=C(C2=O)C3=CSC(=N3)C |
Product Overview
(S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate (CAS 356522-44-6), with molecular formula C27H34N2O6S2 and molecular weight 546.19 g/mol. IUPAC: [6-butyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate.
Chemical Property Profile of (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate
Property Insights of (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate
The XLogP value of 6.11932 indicates that (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate. Following Lipinski's Rule of Five, (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
The CAS number of (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate is 356522-44-6.
What is the molecular formula of (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
The molecular formula of (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate is C27H34N2O6S2.
What is the molecular weight of (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
The molecular weight of (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate is 546.19 g/mol.
Where can I buy (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
You can request a quote for (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-6-butyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.