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CAS 1587-21-9 Tripropyl Citrate molecular structure lightbox
CAS RN: 1587-21-9

Tripropyl Citrate

  • Product code: SSC-066949
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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: ≥97%
  • 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 1587-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

1587-21-9 / tripropyl 2-hydroxypropane-1,2,3-tricarboxylate

Standard CAS: 1587-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1587-21-9
Multi CAS
No
Molecular Formula
C15H26O7
Molecular Weight
318.360000
Exact Mass
318.167853
SMILES
CCCOC(=O)CC(CC(=O)OCCC)(C(=O)OCCC)O
InChI
InChI=1S/C15H26O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h19H,4-11H2,1-3H3
InChIKey
ODHUFJLMXDXVRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.8
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
1
Molar refractivity
77.93
TPSA
99.13

LogP / Solubility

WLOGP
1.36
MLOGP
1.21
XLogP3
1.6
Consensus LogP
1.39
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-3.7

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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