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CAS 1237-75-8 N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-2-naphthalenecarboxamide molecular structure lightbox
CAS RN: 1237-75-8

N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-2-naphthalenecarboxamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250818 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1237-75-8
  • Purity/Analytical Methods: >99.0%
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1237-75-8 / 7-bromo-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide

Standard CAS: 1237-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1237-75-8
Multi CAS
No
Molecular Formula
C18H14BrNO3
Molecular Weight
372.200000
Exact Mass
371.015710
SMILES
COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)O
InChI
InChI=1S/C18H14BrNO3/c1-23-17-5-3-2-4-15(17)20-18(22)14-9-12-8-13(19)7-6-11(12)10-16(14)21/h2-10,21H,1H3,(H,20,22)
InChIKey
JIEINYQEXWLMCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
94.26
TPSA
58.56

LogP / Solubility

WLOGP
4.57
MLOGP
4.04
XLogP3
4.9
Consensus LogP
4.5
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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