(1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate
TL;DR: (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212401-44-9) is a chemical compound with molecular formula C31H28ClNO6 and molecular weight 545.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-2-oxo-4-phenylchromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
Also Known As: (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate, (6-chloro-2-oxo-4-phenylchromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate, 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate
| Molecular Formula | C31H28ClNO6 |
|---|---|
| Molecular Weight | 545.16 g/mol |
| LogP | 6.7516 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.1605 |
| Heavy Atoms | 39 |
| Complexity | 1511.1477 |
Chemical Identifiers
| CAS Number | 1212401-44-9 |
|---|---|
| SMILES | C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)OC3=C(C=C4C(=CC(=O)OC4=C3)C5=CC=CC=C5)Cl |
Product Overview
(1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212401-44-9), with molecular formula C31H28ClNO6 and molecular weight 545.16 g/mol. IUPAC: (6-chloro-2-oxo-4-phenylchromen-7-yl) 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate.
Chemical Property Profile of (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate
Property Insights of (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate
The XLogP value of 6.7516 indicates that (1r,4r)-6-chloro-2-oxo-4-phenyl-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 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate. Following Lipinski's Rule of Five, (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate has 1 hydrogen bond donor(s) and 6 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)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
The CAS number of (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is 1212401-44-9.
What is the molecular formula of (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
The molecular formula of (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is C31H28ClNO6.
What is the molecular weight of (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
The molecular weight of (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate is 545.16 g/mol.
Where can I buy (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
You can request a quote for (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)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)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1r,4r)-6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 4-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.