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CAS 40925-60-8 7-Methylbenzo[d]oxazol-2(3H)-one molecular structure lightbox
CAS RN: 40925-60-8

7-Methylbenzo[d]oxazol-2(3H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS40925-60-8
  • Purity/Analytical Methods: >99.0%
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40925-60-8 / 7-methyl-3H-1,3-benzoxazol-2-one

Standard CAS: 40925-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40925-60-8
Multi CAS
No
Molecular Formula
C8H7NO2
Molecular Weight
149.150000
Exact Mass
149.047678
InChI
InChI=1S/C8H7NO2/c1-5-3-2-4-6-7(5)11-8(10)9-6/h2-4H,1H3,(H,9,10)
InChIKey
YTLYBSLIQYPIKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.57
TPSA
46

LogP / Solubility

WLOGP
1.43
MLOGP
1.25
XLogP3
1.5
Consensus LogP
1.39
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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