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(1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate structure
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(1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate

TL;DR: (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate (CAS 1212242-44-8) is a chemical compound with molecular formula C26H28ClNO6 and molecular weight 485.16052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2-chloro-6-oxobenzo[c]chromen-3-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate

Also Known As: (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate, (2-chloro-6-oxobenzo[c]chromen-3-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate, 2-chloro-6-oxo-6H-benzo[c]chromen-3-yl trans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate

CAS Number
1212242-44-8
Molecular Formula
C26H28ClNO6
Molecular Weight
485.16052 g/mol
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Technical Specifications

Molecular FormulaC26H28ClNO6
Molecular Weight485.16052 g/mol
XLogP5.5
Topological Polar Surface Area (TPSA)90.9 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors6
Rotatable Bonds7
Exact Mass485.16052 Da
Heavy Atoms34
Complexity759.0
SMILESCC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)OC2=C(C=C3C4=CC=CC=C4C(=O)OC3=C2)Cl
InChIKeyFBVMHQYLXVTJPK-UHFFFAOYSA-N

Chemical Property Profile of (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate

XLogP
5.5
TPSA (Topological Polar Surface Area)
90.9
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
Rotatable Bonds
7
Heavy Atoms
34
Complexity
759.0
Exact Mass
485.16052
Monoisotopic Mass
485.16052
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate

The XLogP value of 5.5 indicates that (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-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)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate. Following Lipinski's Rule of Five, (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)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

What is the CAS number of (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?

The CAS number of (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is 1212242-44-8.

What is the molecular formula of (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?

The molecular formula of (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is C26H28ClNO6.

What is the molecular weight of (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?

The molecular weight of (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate is 485.16052 g/mol.

Where can I buy (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?

You can request a quote for (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-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)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate?

Yes, CoreyChem provides custom synthesis services for (1r,4r)-2-chloro-6-oxo-6H-benzo[c]chromen-3-yl 4-(((tert-butoxycarbonyl)amino)methyl)cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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