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CAS 565-60-6 3-Methyl-2-pentanol (mixture of diastereoisomers) molecular structure lightbox
CAS RN: 565-60-6

3-Methyl-2-pentanol (mixture of diastereoisomers)

  • Product code: SSC-164455
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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: 5ml
  • 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 565-60-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5ml ≥95% 0 Out of Stock Hong Kong Inquiry

565-60-6 / 3-methylpentan-2-ol

Standard CAS: 565-60-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
565-60-6
Multi CAS
Yes
Molecular Formula
C6H14O
Molecular Weight
102.170000
Exact Mass
102.104465
InChI
InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3
InChIKey
ZXNBBWHRUSXUFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.14
TPSA
20.23

LogP / Solubility

WLOGP
1.41
MLOGP
1.23
XLogP3
1.7
Consensus LogP
1.45
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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