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CAS 623-39-2 3-Methoxy-1,2-propanediol molecular structure lightbox
CAS RN: 623-39-2

3-Methoxy-1,2-propanediol

  • Product code: SSC-171409
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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 623-39-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

623-39-2 / 3-methoxypropane-1,2-diol

Standard CAS: 623-39-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
623-39-2
Multi CAS
Yes
Molecular Formula
C4H10O3
Molecular Weight
106.120000
Exact Mass
106.062994
InChI
InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3
InChIKey
PSJBSUHYCGQTHZ-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless viscous liquid; Hygroscopic
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
24.97
TPSA
49.69

LogP / Solubility

WLOGP
-1.01
MLOGP
-0.9
XLogP3
-1.2
Consensus LogP
-1.04
Log S (ESOL)
0.34
Class (ESOL)
Highly soluble
Log S (Ali)
0.3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.13
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.09

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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