(1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate
TL;DR: (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212308-07-0) is a chemical compound with molecular formula C28H37NO8 and molecular weight 515.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxochromen-7-yl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
Also Known As: (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate, [3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxochromen-7-yl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate, 3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
| Molecular Formula | C28H37NO8 |
|---|---|
| Molecular Weight | 515.25 g/mol |
| LogP | 4.83362 |
| Topological Polar Surface Area | 121.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.2519 |
| Heavy Atoms | 37 |
| Complexity | 1185.111 |
Chemical Identifiers
| CAS Number | 1212308-07-0 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C2=C(C=C(C=C2)OC(=O)C3CCC(CC3)CNC(=O)OC(C)(C)C)OC1=O)C |
Product Overview
(1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212308-07-0), with molecular formula C28H37NO8 and molecular weight 515.25 g/mol. IUPAC: [3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxochromen-7-yl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate.
Chemical Property Profile of (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate
Property Insights of (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate
The XLogP value of 4.83362 indicates that (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate. Following Lipinski's Rule of Five, (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
The CAS number of (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is 1212308-07-0.
What is the molecular formula of (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
The molecular formula of (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is C28H37NO8.
What is the molecular weight of (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
The molecular weight of (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is 515.25 g/mol.
Where can I buy (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
You can request a quote for (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1r,4r)-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.