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CAS 34841-47-9 2-(4-Formylphenyl)acetic acid molecular structure lightbox
CAS RN: 34841-47-9

2-(4-Formylphenyl)acetic acid

  • Product code: SSC-141501
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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, 5g, 10g
  • 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 34841-47-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
1g -- 1 In Stock Hong Kong Inquiry
5g -- 1 In Stock Hong Kong Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry

34841-47-9 / 2-(4-formylphenyl)acetic acid

Standard CAS: 34841-47-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34841-47-9
Multi CAS
Yes
Molecular Formula
C9H8O3
Molecular Weight
164.160000
Exact Mass
164.047344
InChI
InChI=1S/C9H8O3/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,6H,5H2,(H,11,12)
InChIKey
AGPZPJHWVWZCMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.17
TPSA
54.37

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
1.1
Consensus LogP
1.07
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-2.92

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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