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CAS 73264-93-4 2,6-dimethylheptane-2,4-diol molecular structure lightbox
CAS RN: 73264-93-4

2,6-dimethylheptane-2,4-diol

  • Product code: SSC-182731
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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: 0.25g
  • 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 73264-93-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

73264-93-4 / 2,6-dimethylheptane-2,4-diol

Standard CAS: 73264-93-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73264-93-4
Multi CAS
No
Molecular Formula
C9H20O2
Molecular Weight
160.250000
Exact Mass
160.146330
InChI
InChI=1S/C9H20O2/c1-7(2)5-8(10)6-9(3,4)11/h7-8,10-11H,5-6H2,1-4H3
InChIKey
ITUSHZAINIWHAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.38
TPSA
40.46

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
1.6
Consensus LogP
1.5
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.47
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)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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