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CAS 29568-33-0 5-CHLORO-2-METHOXYBENZOYL CHLORIDE molecular structure lightbox
CAS RN: 29568-33-0

5-CHLORO-2-METHOXYBENZOYL CHLORIDE

  • Product code: SSC-132560
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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 29568-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

29568-33-0 / 5-chloro-2-methoxybenzoyl chloride

Standard CAS: 29568-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29568-33-0
Multi CAS
No
Molecular Formula
C8H6CL2O2
Molecular Weight
205.030000
Exact Mass
203.974485
InChI
InChI=1S/C8H6Cl2O2/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3
InChIKey
JVLUMHRASWENRU-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
2
Molar refractivity
48.19
TPSA
26.3

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
3.6
Consensus LogP
2.91
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.03

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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