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CAS 106483-04-9 Pyridoxine Dicaprylate molecular structure lightbox
CAS RN: 106483-04-9

Pyridoxine Dicaprylate

  • Product code: SSC-008120
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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: 5g
  • 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 106483-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

106483-04-9 / [5-hydroxy-6-methyl-4-(octanoyloxymethyl)-3-pyridinyl]methyl octanoate

Pyridoxine 3,4-dioctanoate | pyridoxine 3,4-dicaprylate | VD9ZZ6S97T

Standard CAS: 106483-04-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106483-04-9
Multi CAS
Yes
Molecular Formula
C24H39NO5
Molecular Weight
421.600000
Exact Mass
421.282823
SMILES
CCCCCCCC(=O)OCC1=CN=C(C(=C1COC(=O)CCCCCCC)O)C
InChI
InChI=1S/C24H39NO5/c1-4-6-8-10-12-14-22(26)29-17-20-16-25-19(3)24(28)21(20)18-30-23(27)15-13-11-9-7-5-2/h16,28H,4-15,17-18H2,1-3H3
InChIKey
PAUSGZCRNOTKPK-UHFFFAOYSA-N
Synonyms
Pyridoxine 3,4-dioctanoate pyridoxine 3,4-dicaprylate VD9ZZ6S97T Octanoic acid, (5-hydroxy-6-methyl-3,4-pyridinediyl)bis(methylene) ester RefChem:177729

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
16
H-bond acceptors
6
H-bond donors
1
Molar refractivity
116.98
TPSA
85.72

LogP / Solubility

WLOGP
5.9
MLOGP
5.22
XLogP3
5.8
Consensus LogP
5.64
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.22
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.1

Drug-likeness / Medicinal Chemistry

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

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