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CAS 2455-04-1 4-chlorobutyramide molecular structure lightbox
CAS RN: 2455-04-1

4-chlorobutyramide

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250518 1g In stock Inquiry
Batchno.20250817 250mg In stock Inquiry
Batchno.20260219 5g In stock Inquiry
  • Product code: SSC-119285
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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 2455-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2455-04-1 / 4-chlorobutanamide

Standard CAS: 2455-04-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2455-04-1
Multi CAS
No
Molecular Formula
C4H8ClNO
Molecular Weight
121.560000
Exact Mass
121.029442
SMILES
C(CC(=O)N)CCl
InChI
InChI=1S/C4H8ClNO/c5-3-1-2-4(6)7/h1-3H2,(H2,6,7)
InChIKey
XYOXIERJKILWCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.15
TPSA
43.09

LogP / Solubility

WLOGP
0.49
MLOGP
0.42
Consensus LogP
0.3
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-3.11

Drug-likeness / Medicinal Chemistry

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

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