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CAS 7051-13-0 1-Chloro-2,4-dimethoxybenzene molecular structure lightbox
CAS RN: 7051-13-0

1-Chloro-2,4-dimethoxybenzene

  • Product code: SSC-180286
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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: 5g
  • 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 7051-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

7051-13-0 / 1-chloro-2,4-dimethoxybenzene

Standard CAS: 7051-13-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7051-13-0
Multi CAS
No
Molecular Formula
C8H9CLO2
Molecular Weight
172.610000
Exact Mass
172.029107
InChI
InChI=1S/C8H9ClO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
InChIKey
OACCRGFGCIQFNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
44.56
TPSA
18.46

LogP / Solubility

WLOGP
2.36
MLOGP
2.07
XLogP3
2.7
Consensus LogP
2.38
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.1

Drug-likeness / Medicinal Chemistry

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

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