2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate
TL;DR: 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate (CAS 374699-99-7) is a chemical compound with molecular formula C28H35N3O8S and molecular weight 573.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-ethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
Also Known As: 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate, [6-ethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate, 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate [M+H]+, 2-{[(tert-butoxycarbonyl)amino]methyl}-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)glycinate
| Molecular Formula | C28H35N3O8S |
|---|---|
| Molecular Weight | 573.21 g/mol |
| LogP | 5.24212 |
| Topological Polar Surface Area | 146.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 573.2145 |
| Heavy Atoms | 40 |
| Complexity | 1477.6569 |
Chemical Identifiers
| CAS Number | 374699-99-7 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(=O)CNC(=O)OC(C)(C)C)OC(=C(C2=O)C3=NC(=CS3)C)CNC(=O)OC(C)(C)C |
Product Overview
2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate (CAS 374699-99-7), with molecular formula C28H35N3O8S and molecular weight 573.21 g/mol. IUPAC: [6-ethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
Chemical Property Profile of 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate
Property Insights of 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate
The XLogP value of 5.24212 indicates that 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.06 Ų indicates high polarity, suggesting 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate?
The CAS number of 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate is 374699-99-7.
What is the molecular formula of 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate?
The molecular formula of 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate is C28H35N3O8S.
What is the molecular weight of 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate?
The molecular weight of 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate is 573.21 g/mol.
Where can I buy 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate?
You can request a quote for 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(((tert-butoxycarbonyl)amino)methyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.