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CAS 620-68-8 GLYCEROL TRIVALERATE molecular structure lightbox
CAS RN: 620-68-8

GLYCEROL TRIVALERATE

  • Product code: SSC-171025
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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 620-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

620-68-8 / 2,3-di(pentanoyloxy)propyl pentanoate

Standard CAS: 620-68-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
620-68-8
Multi CAS
Yes
Molecular Formula
C18H32O6
Molecular Weight
344.400000
Exact Mass
344.219889
InChI
InChI=1S/C18H32O6/c1-4-7-10-16(19)22-13-15(24-18(21)12-9-6-3)14-23-17(20)11-8-5-2/h15H,4-14H2,1-3H3
InChIKey
PZJLFHDNXGAZHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.83
Rotatable bonds
14
H-bond acceptors
6
Molar refractivity
90.37
TPSA
78.9

LogP / Solubility

WLOGP
3.56
MLOGP
3.15
XLogP3
4.1
Consensus LogP
3.6
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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