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CAS 81474-46-6 4-BROMO-7-METHOXY-BENZO[1,3]DIOXOLE-5-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 81474-46-6

4-BROMO-7-METHOXY-BENZO[1,3]DIOXOLE-5-CARBOXYLIC ACID METHYL ESTER

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260108 100mg In stock Shanghai Inquiry
Batchno.20250808 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260626 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260519 250mg In stock Shanghai Inquiry
Batchno.20250121 5g Out of stock Inquiry
  • Product code: SSC-189908
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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: ＞97%
  • 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 81474-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

81474-46-6 / methyl 4-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate

Standard CAS: 81474-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81474-46-6
Multi CAS
No
Molecular Formula
C10H9BRO5
Molecular Weight
289.080000
Exact Mass
287.963340
InChI
InChI=1S/C10H9BrO5/c1-13-6-3-5(10(12)14-2)7(11)9-8(6)15-4-16-9/h3H,4H2,1-2H3
InChIKey
LBTTXOWOLNELBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
58.16
TPSA
53.99

LogP / Solubility

WLOGP
1.97
MLOGP
1.75
XLogP3
2.3
Consensus LogP
2.01
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly 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)
-3.08

Drug-likeness / Medicinal Chemistry

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

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