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CAS 29568-76-1 3,5-DICHLORO-4-METHOXY-BENZOYL CHLORIDE molecular structure lightbox
CAS RN: 29568-76-1

3,5-DICHLORO-4-METHOXY-BENZOYL CHLORIDE

  • Product code: SSC-132563
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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: ≥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 29568-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

29568-76-1 / 3,5-dichloro-4-methoxybenzoyl chloride

Standard CAS: 29568-76-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29568-76-1
Multi CAS
No
Molecular Formula
C8H5CL3O2
Molecular Weight
239.500000
Exact Mass
237.935512
InChI
InChI=1S/C8H5Cl3O2/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3
InChIKey
XWIGDNQZKUVSQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
53.2
TPSA
26.3

LogP / Solubility

WLOGP
3.38
MLOGP
2.98
XLogP3
3.9
Consensus LogP
3.42
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
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)
-1.78

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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