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CAS 20411-31-8 TRIGLYCEROL molecular structure lightbox
CAS RN: 20411-31-8

TRIGLYCEROL

  • Product code: SSC-096035
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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 20411-31-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

20411-31-8 / 3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,2-diol

Standard CAS: 20411-31-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20411-31-8
Multi CAS
No
Molecular Formula
C9H20O7
Molecular Weight
240.250000
Exact Mass
240.120903
SMILES
C(C(COCC(COCC(CO)O)O)O)O
InChI
InChI=1S/C9H20O7/c10-1-7(12)3-15-5-9(14)6-16-4-8(13)2-11/h7-14H,1-6H2
InChIKey
AGNTUZCMJBTHOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
5
Molar refractivity
53.83
TPSA
119.61

LogP / Solubility

WLOGP
-2.91
MLOGP
-2.56
XLogP3
-3.3
Consensus LogP
-2.92
Log S (ESOL)
1.17
Class (ESOL)
Highly soluble
Log S (Ali)
0.57
Class (Ali)
Highly soluble
Class (SILICOS-IT)
Very 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)
-6.25

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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