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CAS 23602-63-3 5-CHLORO-2-HYDROXY-3-METHYLBENZALDEHYDE molecular structure lightbox
CAS RN: 23602-63-3

5-CHLORO-2-HYDROXY-3-METHYLBENZALDEHYDE

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251216 1g In stock Inquiry
Batchno.20250526 5g In stock Inquiry
  • Product code: SSC-114862
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23602-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

23602-63-3 / 5-chloro-2-hydroxy-3-methylbenzaldehyde

Standard CAS: 23602-63-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23602-63-3
Multi CAS
No
Molecular Formula
C8H7ClO2
Molecular Weight
170.590000
Exact Mass
170.013457
SMILES
CC1=CC(=CC(=C1O)C=O)Cl
InChI
InChI=1S/C8H7ClO2/c1-5-2-7(9)3-6(4-10)8(5)11/h2-4,11H,1H3
InChIKey
NSKZAOKQZDLHGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.24
TPSA
37.3

LogP / Solubility

WLOGP
2.17
MLOGP
1.9
XLogP3
2.6
Consensus LogP
2.22
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.22

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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