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CAS 832674-55-2 3-CHLORO-5-METHOXY-4-PROPOXYBENZALDEHYDE molecular structure lightbox
CAS RN: 832674-55-2

3-CHLORO-5-METHOXY-4-PROPOXYBENZALDEHYDE

  • Product code: SSC-191144
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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: 0.25g
  • Available purity: ≥95%
  • 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 832674-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

832674-55-2 / 3-chloro-5-methoxy-4-propoxybenzaldehyde

Standard CAS: 832674-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
832674-55-2
Multi CAS
No
Molecular Formula
C11H13CLO3
Molecular Weight
228.670000
Exact Mass
228.055322
InChI
InChI=1S/C11H13ClO3/c1-3-4-15-11-9(12)5-8(7-13)6-10(11)14-2/h5-7H,3-4H2,1-2H3
InChIKey
ZBXJCSOGXRWPJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
59.18
TPSA
35.53

LogP / Solubility

WLOGP
2.95
MLOGP
2.6
XLogP3
2.8
Consensus LogP
2.78
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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