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CAS 34060-22-5 1,3-Benzodioxol-5-amine, N-methyl- molecular structure lightbox
CAS RN: 34060-22-5

1,3-Benzodioxol-5-amine, N-methyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250807 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS34060-22-5
  • Purity/Analytical Methods: >99.0%
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34060-22-5 / N-methyl-1,3-benzodioxol-5-amine

Standard CAS: 34060-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34060-22-5
Multi CAS
No
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
InChI
InChI=1S/C8H9NO2/c1-9-6-2-3-7-8(4-6)11-5-10-7/h2-4,9H,5H2,1H3
InChIKey
LVHVNEHCBSZOEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.11
TPSA
30.49

LogP / Solubility

WLOGP
1.46
MLOGP
1.28
XLogP3
1.6
Consensus LogP
1.45
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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