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CAS 64122-23-2 Benzoic acid, 3,5-dichloro-2-methoxy-, methyl ester molecular structure lightbox
CAS RN: 64122-23-2

Benzoic acid, 3,5-dichloro-2-methoxy-, methyl ester

  • Product code: SSC-173890
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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: ＞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 64122-23-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

64122-23-2 / methyl 3,5-dichloro-2-methoxybenzoate

Standard CAS: 64122-23-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64122-23-2
Multi CAS
No
Molecular Formula
C9H8CL2O3
Molecular Weight
235.060000
Exact Mass
233.985050
InChI
InChI=1S/C9H8Cl2O3/c1-13-8-6(9(12)14-2)3-5(10)4-7(8)11/h3-4H,1-2H3
InChIKey
WYTVRNKHBROSCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.35
TPSA
35.53

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
3
Consensus LogP
2.75
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-2.17

Drug-likeness / Medicinal Chemistry

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

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