(1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate
TL;DR: (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212322-31-0) is a chemical compound with molecular formula C33H33NO8 and molecular weight 571.22064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(3,4-dimethoxyphenyl)-2-oxochromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
Also Known As: (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate, [3-(3,4-dimethoxyphenyl)-2-oxochromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate, 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate
Technical Specifications
| Molecular Formula | C33H33NO8 |
| Molecular Weight | 571.22064 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 571.22064 Da |
| Heavy Atoms | 42 |
| Complexity | 954.0 |
| SMILES | COC1=C(C=C(C=C1)C2=CC3=C(C=C(C=C3)OC(=O)C4CCC(CC4)CNC(=O)OCC5=CC=CC=C5)OC2=O)OC |
| InChIKey | QRTRSMMPGWUSBS-UHFFFAOYSA-N |
Chemical Property Profile of (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate
Property Insights of (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate
The XLogP value of 5.9 indicates that (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate. Following Lipinski's Rule of Five, (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)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
What is the CAS number of (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
The CAS number of (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is 1212322-31-0.
What is the molecular formula of (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
The molecular formula of (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is C33H33NO8.
What is the molecular weight of (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
The molecular weight of (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is 571.22064 g/mol.
Where can I buy (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
You can request a quote for (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)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-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
Yes, CoreyChem provides custom synthesis services for (1r,4r)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.