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CAS 25245-58-3 METHYLGLYCERIN molecular structure lightbox
CAS RN: 25245-58-3

METHYLGLYCERIN

  • Product code: SSC-121025
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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: 1g, 5g, 0.1g, 0.25g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 25245-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 4 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
10g ≥95% 2 In Stock Hong Kong Inquiry
25g ≥95% 2 In Stock Hong Kong Inquiry

25245-58-3 / butane-1,2,3-triol

Standard CAS: 25245-58-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25245-58-3
Multi CAS
No
Molecular Formula
C4H10O3
Molecular Weight
106.120000
Exact Mass
106.062994
SMILES
CC(C(CO)O)O
InChI
InChI=1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3
InChIKey
YAXKTBLXMTYWDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
24.77
TPSA
60.69

LogP / Solubility

WLOGP
-1.28
MLOGP
-1.14
XLogP3
-1.3
Consensus LogP
-1.24
Log S (ESOL)
0.44
Class (ESOL)
Highly soluble
Log S (Ali)
0.49
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.47
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)
-4.28

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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