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CAS 2568-90-3 Dibutoxymethane molecular structure lightbox
CAS RN: 2568-90-3

Dibutoxymethane

  • Product code: SSC-122041
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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: 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 2568-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

2568-90-3 / 1-(butoxymethoxy)butane

Standard CAS: 2568-90-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2568-90-3
Multi CAS
No
Molecular Formula
C9H20O2
Molecular Weight
160.250000
Exact Mass
160.146330
SMILES
CCCCOCOCCCC
InChI
InChI=1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3
InChIKey
QLCJOAMJPCOIDI-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
46.59
TPSA
18.46

LogP / Solubility

WLOGP
2.58
MLOGP
2.26
XLogP3
3.2
Consensus LogP
2.68
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly 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)
-1.87

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
1.5

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