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CAS 42919-42-6 1,1-Dimethoxy-2-propanol molecular structure lightbox
CAS RN: 42919-42-6

1,1-Dimethoxy-2-propanol

  • Product code: SSC-151218
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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: ≥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 42919-42-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

42919-42-6 / 1,1-dimethoxypropan-2-ol

Standard CAS: 42919-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
42919-42-6
Multi CAS
No
Molecular Formula
C5H12O3
Molecular Weight
120.150000
Exact Mass
120.078644
InChI
InChI=1S/C5H12O3/c1-4(6)5(7-2)8-3/h4-6H,1-3H3
InChIKey
PRAYXKGWSGUXQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
29.49
TPSA
38.69

LogP / Solubility

WLOGP
-0.01
MLOGP
-0.02
XLogP3
-0.2
Consensus LogP
-0.08
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
Class (SILICOS-IT)
Very 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)
-3.46

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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