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CAS 90484-53-0 Methyl 3-broMo-4-forMylbenzoate molecular structure lightbox
CAS RN: 90484-53-0

Methyl 3-broMo-4-forMylbenzoate

  • Product code: SSC-203005
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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: 0.25g, 5g, 10g, 25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 90484-53-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 3 In Stock Beijing Inquiry
1g >97% 2 In Stock Shanghai Inquiry

90484-53-0 / methyl 3-bromo-4-formylbenzoate

Standard CAS: 90484-53-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90484-53-0
Multi CAS
No
Molecular Formula
C9H7BRO3
Molecular Weight
243.050000
Exact Mass
241.957860
InChI
InChI=1S/C9H7BrO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-5H,1H3
InChIKey
OILDTPUIIUEPFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
50.87
TPSA
43.37

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
1.9
Consensus LogP
1.92
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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)
-2.75

Drug-likeness / Medicinal Chemistry

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

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