Oxcarbazepine impurity 1

CAS No. 4698-11-7
Cat. No. CS-W013089
Purity≥98%
MDL No.MFCD00101079

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Structure of 4698-11-7

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Description

10-Methoxy-5H-dibenzo[b,f]azepine features a rigid, polycyclic scaffold with a methoxy group at the 10-position, enhancing solubility and electronic modulation. This electron-rich heterocycle serves as a core motif in bioactive molecule design, particularly for CNS-targeted compounds. The structure combines planarity with moderate polarity, enabling efficient integration into drug discovery scaffolds.

Application

10-Methoxy-5H-dibenzo[b,f]azepine serves as a versatile heterocyclic scaffold in medicinal chemistry, offering a rigid, planar structure with moderate lipophilicity and enhanced metabolic stability. The methoxy group at the 10-position provides favorable electronic modulation and improves solubility, facilitating downstream functionalization via palladium-catalyzed cross-coupling reactions. Its robust bench stability and compatibility with standard synthetic protocols make it a practical building block for CNS-targeted drug discovery and API development.

General Information

CAS No. 4698-11-7
Cat. No. CS-W013089
Purity ≥98%
MDL No. MFCD00101079
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₃NO
Molecular Weight 223.27
Synonym(s) None
SMILES COC1=CC2=C(NC3=C1C=CC=C3)C=CC=C2

Computational Chemistry Data

TPSA 21.26
LogP 3.8881
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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Oxcarbazepine impurity 1

CAS No. 4698-11-7

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