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CAS 617-29-8 2-Methyl-3-hexanol molecular structure lightbox
CAS RN: 617-29-8

2-Methyl-3-hexanol

  • Product code: SSC-170640
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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: ＞97%
  • 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 617-29-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

617-29-8 / 2-methylhexan-3-ol

Standard CAS: 617-29-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
617-29-8
Multi CAS
Yes
Molecular Formula
C7H16O
Molecular Weight
116.200000
Exact Mass
116.120115
InChI
InChI=1S/C7H16O/c1-4-5-7(8)6(2)3/h6-8H,4-5H2,1-3H3
InChIKey
RGRUUTLDBCWYBL-UHFFFAOYSA-N

Physical Properties

Physical Description
Clear viscous liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.75
TPSA
20.23

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
2.2
Consensus LogP
1.86
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
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)
-2.15

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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