(4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
TL;DR: (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate (CAS 1212112-98-5) is a chemical compound with molecular formula C29H33NO6 and molecular weight 491.23077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-butyl-2-oxochromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
Also Known As: (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate, (4-butyl-2-oxochromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate, (1r,4r)-4-butyl-2-oxo-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate, 4-butyl-2-oxo-2H-chromen-7-yl trans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate
Technical Specifications
| Molecular Formula | C29H33NO6 |
| Molecular Weight | 491.23077 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 491.23077 Da |
| Heavy Atoms | 36 |
| Complexity | 781.0 |
| SMILES | CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4 |
| InChIKey | BEZGOCXNVYFNMX-UHFFFAOYSA-N |
Chemical Property Profile of (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
Property Insights of (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
The XLogP value of 5.7 indicates that (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate 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 (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate. Following Lipinski's Rule of Five, (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate?
The CAS number of (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate is 1212112-98-5.
What is the molecular formula of (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate?
The molecular formula of (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate is C29H33NO6.
What is the molecular weight of (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate?
The molecular weight of (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate is 491.23077 g/mol.
Where can I buy (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate?
You can request a quote for (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for (4-butyl-2-oxo-chromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.