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CAS 591-31-1 m-Anisaldehyde molecular structure lightbox
CAS RN: 591-31-1

m-Anisaldehyde

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260414 100g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250702 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260324 500g In stock Shanghai Inquiry
Batchno.20251201 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-167490
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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, 10g, 25g, 100g, 1000g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • 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 591-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
10g >98% 5 In Stock Shanghai Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 5 In Stock Hong Kong Inquiry
1000g >98% 4 In Stock Shanghai Inquiry
500g >98% 2 In Stock Shenzhen Inquiry

591-31-1 / 3-methoxybenzaldehyde

Standard CAS: 591-31-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
591-31-1
Multi CAS
No
Molecular Formula
C8H8O2
Molecular Weight
136.150000
Exact Mass
136.052429
InChI
InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
InChIKey
WMPDAIZRQDCGFH-UHFFFAOYSA-N

Physical Properties

Boiling Point
143.00 °C. @ 50.00 mm Hg
Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.38
TPSA
26.3

LogP / Solubility

WLOGP
1.51
MLOGP
1.32
XLogP3
1.8
Consensus LogP
1.54
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.48

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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