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CAS 29333-41-3 methyl 3,5-bis(bromomethyl)benzoate molecular structure lightbox
CAS RN: 29333-41-3

methyl 3,5-bis(bromomethyl)benzoate

  • Product code: SSC-132006
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 29333-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shenzhen Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

29333-41-3 / methyl 3,5-bis(bromomethyl)benzoate

Standard CAS: 29333-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29333-41-3
Multi CAS
No
Molecular Formula
C10H10BR2O2
Molecular Weight
321.990000
Exact Mass
321.902710
InChI
InChI=1S/C10H10Br2O2/c1-14-10(13)9-3-7(5-11)2-8(4-9)6-12/h2-4H,5-6H2,1H3
InChIKey
VKDYWLKLAIJZPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
63.04
TPSA
26.3

LogP / Solubility

WLOGP
3.26
MLOGP
2.89
XLogP3
2.9
Consensus LogP
3.02
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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