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CAS 4124-31-6 Trichloroacetic Anhydride molecular structure lightbox
CAS RN: 4124-31-6

Trichloroacetic Anhydride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250203 1g In stock Inquiry
Batchno.20250130 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Chongqing 5-7 business days Inquiry
Batchno.20250923 5g In stock Inquiry
  • Product code: SSC-149688
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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: 100g
  • 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 4124-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

4124-31-6 / (2,2,2-trichloroacetyl) 2,2,2-trichloroacetate

Standard CAS: 4124-31-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4124-31-6
Multi CAS
No
Molecular Formula
C4CL6O3
Molecular Weight
308.700000
Exact Mass
307.794910
InChI
InChI=1S/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
InChIKey
MEFKFJOEVLUFAY-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
51.68
TPSA
43.37

LogP / Solubility

WLOGP
2.8
MLOGP
2.47
XLogP3
3.6
Consensus LogP
2.96
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

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

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