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CAS 625-35-4 (E)-2-Butenoyl chloride molecular structure lightbox
CAS RN: 625-35-4

(E)-2-Butenoyl chloride

  • Product code: SSC-171671
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g
  • Available purity: Tech. 90%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 625-35-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g Tech. 90% 1 In Stock Shanghai Inquiry
100g Tech. 90% 0 Out of Stock Shenzhen Inquiry

625-35-4 / but-2-enoyl chloride

Standard CAS: 625-35-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
625-35-4
Multi CAS
Yes
Molecular Formula
C4H5CLO
Molecular Weight
104.530000
Exact Mass
104.002893
InChI
InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3
InChIKey
RJUIDDKTATZJFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
25.67
TPSA
17.07

LogP / Solubility

WLOGP
1.33
MLOGP
1.16
XLogP3
1.6
Consensus LogP
1.36
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-2.41

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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