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CAS 64502-89-2 1-Hydroxy-2-pentanone molecular structure lightbox
CAS RN: 64502-89-2

1-Hydroxy-2-pentanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251223 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS64502-89-2
  • Purity/Analytical Methods: >99.0%
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64502-89-2 / 1-hydroxypentan-2-one

Standard CAS: 64502-89-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
64502-89-2
Multi CAS
No
Molecular Formula
C5H10O2
Molecular Weight
102.130000
Exact Mass
102.068080
InChI
InChI=1S/C5H10O2/c1-2-3-5(7)4-6/h6H,2-4H2,1H3
InChIKey
WOVLKKLXYZJMSN-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
27
TPSA
37.3

LogP / Solubility

WLOGP
0.35
MLOGP
0.29
XLogP3
0.1
Consensus LogP
0.25
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.1

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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