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CAS 7145-99-5 5-METHYL-1,3-BENZODIOXOLE molecular structure lightbox
CAS RN: 7145-99-5

5-METHYL-1,3-BENZODIOXOLE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250504 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai, Guangdong 5-7 business days Inquiry
  • Product code: SSC-181039
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 7145-99-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

7145-99-5 / 5-methyl-1,3-benzodioxole

Standard CAS: 7145-99-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7145-99-5
Multi CAS
Yes
Molecular Formula
C8H8O2
Molecular Weight
136.150000
Exact Mass
136.052429
InChI
InChI=1S/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3
InChIKey
GHPODDMCSOYWNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
37.3
TPSA
18.46

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
2.3
Consensus LogP
1.84
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.33

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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