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CAS 600-36-2 2,4-Dimethyl-3-pentanol molecular structure lightbox
CAS RN: 600-36-2

2,4-Dimethyl-3-pentanol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250218 25ml / 100ml / 500ml Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTD2387
  • Purity/Analytical Methods: >99.0%(GC)
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600-36-2 / 2,4-dimethylpentan-3-ol

Standard CAS: 600-36-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
600-36-2
Multi CAS
No
Molecular Formula
C7H16O
Molecular Weight
116.200000
Exact Mass
116.120115
InChI
InChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3
InChIKey
BAYAKMPRFGNNFW-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.68
TPSA
20.23

LogP / Solubility

WLOGP
1.66
MLOGP
1.45
XLogP3
2.3
Consensus LogP
1.8
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.25

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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