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CAS 623-56-3 Ethyl Isobutyl Ketone molecular structure lightbox
CAS RN: 623-56-3

Ethyl Isobutyl Ketone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250805 1ml In stock Inquiry
  • Product code: SSC-171415
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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: 10ml
  • 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 623-56-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10ml ≥98% 0 Out of Stock Beijing Inquiry

623-56-3 / 5-methylhexan-3-one

Standard CAS: 623-56-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
623-56-3
Multi CAS
No
Molecular Formula
C7H14O
Molecular Weight
114.190000
Exact Mass
114.104465
InChI
InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKey
DXVYLFHTJZWTRF-UHFFFAOYSA-N

Physical Properties

Boiling Point
135 °C
Physical Description
Liquid; Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
34.75
TPSA
17.07

LogP / Solubility

WLOGP
2.01
MLOGP
1.76
XLogP3
1.7
Consensus LogP
1.82
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately 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)
-1.99

Drug-likeness / Medicinal Chemistry

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

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