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CAS 52178-50-4 Methyl 3-formylbenzoate molecular structure lightbox
CAS RN: 52178-50-4

Methyl 3-formylbenzoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250602 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-159261
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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, 100g, 25g, 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 52178-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Beijing Inquiry
100g >97% 4 In Stock Hong Kong Inquiry
25g >97% 3 In Stock Shenzhen Inquiry
500g >97% 0 Out of Stock Shenzhen Inquiry

52178-50-4 / methyl 3-formylbenzoate

Standard CAS: 52178-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52178-50-4
Multi CAS
No
Molecular Formula
C9H8O3
Molecular Weight
164.160000
Exact Mass
164.047344
InChI
InChI=1S/C9H8O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-6H,1H3
InChIKey
UVSBCUAQEZINCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
43.17
TPSA
43.37

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1.7
Consensus LogP
1.37
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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