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CAS 4254-85-7 1,5-DIHYDROXY-PENTAN-3-ONE molecular structure lightbox
CAS RN: 4254-85-7

1,5-DIHYDROXY-PENTAN-3-ONE

  • Product code: SSC-150866
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 4254-85-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 1 In Stock Hong Kong Inquiry

4254-85-7 / 1,5-dihydroxypentan-3-one

Standard CAS: 4254-85-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4254-85-7
Multi CAS
No
Molecular Formula
C5H10O3
Molecular Weight
118.130000
Exact Mass
118.062994
InChI
InChI=1S/C5H10O3/c6-3-1-5(8)2-4-7/h6-7H,1-4H2
InChIKey
DEOWHQAFPBKSMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
28.41
TPSA
57.53

LogP / Solubility

WLOGP
-0.68
MLOGP
-0.61
XLogP3
-1.6
Consensus LogP
-0.96
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
-0.04
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.34
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.92

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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