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CAS 91760-66-6 3-BroMo-4-forMylbenzoic acid molecular structure lightbox
CAS RN: 91760-66-6

3-BroMo-4-forMylbenzoic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250521 1g In stock Inquiry
Batchno.20250321 25g In stock Inquiry
Batchno.20250823 5g In stock Inquiry
  • Product code: SSC-205186
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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: 1g, 5g, 10g, 25g, 100g, 500g
  • 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 91760-66-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Beijing Inquiry
100g >97% 3 In Stock Beijing Inquiry
500g >97% 0 Out of Stock Shanghai Inquiry

91760-66-6 / 3-bromo-4-formylbenzoic acid

Standard CAS: 91760-66-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91760-66-6
Multi CAS
No
Molecular Formula
C8H5BRO3
Molecular Weight
229.030000
Exact Mass
227.942210
InChI
InChI=1S/C8H5BrO3/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-4H,(H,11,12)
InChIKey
GBKQIFMNYQGCEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.49
TPSA
54.37

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
1.6
Consensus LogP
1.76
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.73

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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