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CAS 54335-33-0 METHYL 2,4-DIBROMOBENZOATE molecular structure lightbox
CAS RN: 54335-33-0

METHYL 2,4-DIBROMOBENZOATE

  • Product code: SSC-161966
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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: 5g
  • 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 54335-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

54335-33-0 / methyl 2,4-dibromobenzoate

Standard CAS: 54335-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54335-33-0
Multi CAS
No
Molecular Formula
C8H6BR2O2
Molecular Weight
293.940000
Exact Mass
293.871410
InChI
InChI=1S/C8H6Br2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChIKey
SBKBVWPHNYFFCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.18
TPSA
26.3

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
4.2
Consensus LogP
3.28
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-2.38

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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