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CAS 928-40-5 1,5-Hexanediol molecular structure lightbox
CAS RN: 928-40-5

1,5-Hexanediol

  • Product code: SSC-206616
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 928-40-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry

928-40-5 / hexane-1,5-diol

Standard CAS: 928-40-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
928-40-5
Multi CAS
Yes
Molecular Formula
C6H14O2
Molecular Weight
118.170000
Exact Mass
118.099380
InChI
InChI=1S/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3
InChIKey
UNVGBIALRHLALK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.62
TPSA
40.46

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.4
Consensus LogP
0.46
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.35
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)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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