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CAS 7564-64-9 3-METHYLPENTANE-1,3,5-TRIOL molecular structure lightbox
CAS RN: 7564-64-9

3-METHYLPENTANE-1,3,5-TRIOL

  • Product code: SSC-185068
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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: 5g
  • Available purity: 80%
  • 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 7564-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 80% 0 Out of Stock Beijing Inquiry

7564-64-9 / 3-methylpentane-1,3,5-triol

Standard CAS: 7564-64-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7564-64-9
Multi CAS
No
Molecular Formula
C6H14O3
Molecular Weight
134.170000
Exact Mass
134.094294
InChI
InChI=1S/C6H14O3/c1-6(9,2-4-7)3-5-8/h7-9H,2-5H2,1H3
InChIKey
AHHQDHCTHYTBSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.03
TPSA
60.69

LogP / Solubility

WLOGP
-0.5
MLOGP
-0.45
XLogP3
-0.9
Consensus LogP
-0.62
Log S (ESOL)
-0.09
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
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)
-3.89

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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