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CAS 1403483-70-4 Methyl 4-bromo-2-(2-methoxy-2-oxoethyl)benzoate molecular structure lightbox
CAS RN: 1403483-70-4

Methyl 4-bromo-2-(2-methoxy-2-oxoethyl)benzoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-050898
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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 1403483-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1403483-70-4 / methyl 4-bromo-2-(2-methoxy-2-oxoethyl)benzoate

Standard CAS: 1403483-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1403483-70-4
Multi CAS
No
Molecular Formula
C11H11BrO4
Molecular Weight
287.110000
Exact Mass
285.984070
SMILES
COC(=O)CC1=C(C=CC(=C1)Br)C(=O)OC
InChI
InChI=1S/C11H11BrO4/c1-15-10(13)6-7-5-8(12)3-4-9(7)11(14)16-2/h3-5H,6H2,1-2H3
InChIKey
HHGOFKSYBIJJTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
61.2
TPSA
52.6

LogP / Solubility

WLOGP
1.95
MLOGP
1.73
XLogP3
2.3
Consensus LogP
1.99
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-3.09

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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