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CAS 56724-03-9 3-METHOXY-2-METHYL-BENZALDEHYDE molecular structure lightbox
CAS RN: 56724-03-9

3-METHOXY-2-METHYL-BENZALDEHYDE

  • Product code: SSC-164769
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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: 5g, 0.1g, 0.25g, 1g
  • Available purity: ≥96%
  • Inventory rows with stock: 1
  • 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 56724-03-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥96% 2 In Stock Shenzhen Inquiry
0.1g ≥96% 0 Out of Stock Hong Kong Inquiry
0.25g ≥96% 0 Out of Stock Shanghai Inquiry
1g ≥96% 0 Out of Stock Hong Kong Inquiry

56724-03-9 / 3-methoxy-2-methylbenzaldehyde

Standard CAS: 56724-03-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56724-03-9
Multi CAS
Yes
Molecular Formula
C9H10O2
Molecular Weight
150.170000
Exact Mass
150.068080
InChI
InChI=1S/C9H10O2/c1-7-8(6-10)4-3-5-9(7)11-2/h3-6H,1-2H3
InChIKey
VUVSSLDCCMJFTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.12
TPSA
26.3

LogP / Solubility

WLOGP
1.82
MLOGP
1.59
XLogP3
2.4
Consensus LogP
1.94
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.35

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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