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CAS 72482-15-6 3-Chloro-4-Methoxysalicylaldehyde molecular structure lightbox
CAS RN: 72482-15-6

3-Chloro-4-Methoxysalicylaldehyde

  • Product code: SSC-181974
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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, 1g, 0.25g
  • Available purity: >97%
  • 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 72482-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry

72482-15-6 / 3-chloro-2-hydroxy-4-methoxybenzaldehyde

Standard CAS: 72482-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72482-15-6
Multi CAS
No
Molecular Formula
C8H7CLO3
Molecular Weight
186.590000
Exact Mass
186.008372
InChI
InChI=1S/C8H7ClO3/c1-12-6-3-2-5(4-10)8(11)7(6)9/h2-4,11H,1H3
InChIKey
REYOHTMEPVOOHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.06
TPSA
46.53

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
2
Consensus LogP
1.84
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.53

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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