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CAS 65849-81-2 3-(3-hydroxybutoxy)butan-1-ol molecular structure lightbox
CAS RN: 65849-81-2

3-(3-hydroxybutoxy)butan-1-ol

  • Product code: SSC-175474
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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: 0.05g, 0.1g, 0.25g, 1g
  • 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 65849-81-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shanghai Inquiry

65849-81-2 / 4-(4-hydroxybutan-2-yloxy)butan-2-ol

Standard CAS: 65849-81-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65849-81-2
Multi CAS
No
Molecular Formula
C8H18O3
Molecular Weight
162.230000
Exact Mass
162.125594
InChI
InChI=1S/C8H18O3/c1-7(10)4-6-11-8(2)3-5-9/h7-10H,3-6H2,1-2H3
InChIKey
HNXKBOZFEUCZHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.41
TPSA
49.69

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
0.3
Consensus LogP
0.44
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.32

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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