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CAS 91420-99-4 3-ForMyl-4-Methoxybenzoic Acid molecular structure lightbox
CAS RN: 91420-99-4

3-ForMyl-4-Methoxybenzoic Acid

  • Product code: SSC-204468
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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, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 91420-99-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

91420-99-4 / 3-formyl-4-methoxybenzoic acid

Standard CAS: 91420-99-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91420-99-4
Multi CAS
No
Molecular Formula
C9H8O4
Molecular Weight
180.160000
Exact Mass
180.042259
InChI
InChI=1S/C9H8O4/c1-13-8-3-2-6(9(11)12)4-7(8)5-10/h2-5H,1H3,(H,11,12)
InChIKey
LAQPQIRPQCMEHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.34
TPSA
63.6

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
1.1
Consensus LogP
1.12
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
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)
-2.96

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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