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CAS 5340-85-2 2,4-DIMETHYL-4-PHENYLPENTAN-2-OL molecular structure lightbox
CAS RN: 5340-85-2

2,4-DIMETHYL-4-PHENYLPENTAN-2-OL

  • Product code: SSC-160740
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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: 1g
  • Available purity: ≥95%
  • 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 5340-85-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

5340-85-2 / 2,4-dimethyl-4-phenylpentan-2-ol

Standard CAS: 5340-85-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5340-85-2
Multi CAS
Yes
Molecular Formula
C13H20O
Molecular Weight
192.300000
Exact Mass
192.151415
InChI
InChI=1S/C13H20O/c1-12(2,10-13(3,4)14)11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3
InChIKey
KQSZRLQXRKZELT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.38
TPSA
20.23

LogP / Solubility

WLOGP
3.13
MLOGP
2.75
XLogP3
3.3
Consensus LogP
3.06
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly 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)
-1.67

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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