(1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate
TL;DR: (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212371-29-3) is a chemical compound with molecular formula C28H30FNO6 and molecular weight 495.20572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-fluorophenyl)-2-oxochromen-7-yl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
Also Known As: (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate, [3-(4-fluorophenyl)-2-oxochromen-7-yl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate, 3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
Technical Specifications
| Molecular Formula | C28H30FNO6 |
| Molecular Weight | 495.20572 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.20572 Da |
| Heavy Atoms | 36 |
| Complexity | 835.0 |
| SMILES | CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=C(C=C4)F |
| InChIKey | VCJHWZHRBGHTHL-UHFFFAOYSA-N |
Chemical Property Profile of (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate
Property Insights of (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate
The XLogP value of 5.5 indicates that (1r,4r)-3-(4-fluorophenyl)-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 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate. Following Lipinski's Rule of Five, (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
The CAS number of (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is 1212371-29-3.
What is the molecular formula of (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
The molecular formula of (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is C28H30FNO6.
What is the molecular weight of (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
The molecular weight of (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is 495.20572 g/mol.
Where can I buy (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
You can request a quote for (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1r,4r)-3-(4-fluorophenyl)-2-oxo-2H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
Yes, CoreyChem provides custom synthesis services for (1r,4r)-3-(4-fluorophenyl)-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.