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CAS 65854-91-3 4′-Chloropivaloanilide molecular structure lightbox
CAS RN: 65854-91-3

4′-Chloropivaloanilide

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251119 25g In stock Shanghai Inquiry
Batchno.20260510 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-175477
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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: 25g
  • Available purity: ≥98%
  • 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 65854-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

65854-91-3 / N-(4-chlorophenyl)-2,2-dimethylpropanamide

Standard CAS: 65854-91-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65854-91-3
Multi CAS
No
Molecular Formula
C11H14CLNO
Molecular Weight
211.690000
Exact Mass
211.076392
InChI
InChI=1S/C11H14ClNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKey
IZISMXMXCLUHGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.54
TPSA
29.1

LogP / Solubility

WLOGP
3.32
MLOGP
2.93
XLogP3
2.6
Consensus LogP
2.95
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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)
-1.65

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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