(1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate
TL;DR: (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212425-49-4) is a chemical compound with molecular formula C28H31NO7 and molecular weight 493.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxy-4-oxo-2-phenylchromen-7-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
Also Known As: (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate, (5-hydroxy-4-oxo-2-phenylchromen-7-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate, 5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
| Molecular Formula | C28H31NO7 |
|---|---|
| Molecular Weight | 493.21 g/mol |
| LogP | 5.4021 |
| Topological Polar Surface Area | 115.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.21005 |
| Heavy Atoms | 36 |
| Complexity | 1299.2081 |
Chemical Identifiers
| CAS Number | 1212425-49-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O |
Product Overview
(1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212425-49-4), with molecular formula C28H31NO7 and molecular weight 493.21 g/mol. IUPAC: (5-hydroxy-4-oxo-2-phenylchromen-7-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate.
Chemical Property Profile of (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate
Property Insights of (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate
The XLogP value of 5.4021 indicates that (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-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 115.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate. Following Lipinski's Rule of Five, (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate has 2 hydrogen bond donor(s) and 7 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)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
The CAS number of (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is 1212425-49-4.
What is the molecular formula of (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
The molecular formula of (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is C28H31NO7.
What is the molecular weight of (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
The molecular weight of (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is 493.21 g/mol.
Where can I buy (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
You can request a quote for (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-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)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1r,4r)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.