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CAS 2528-39-4 TRIHEXYL PHOSPHATE molecular structure lightbox
CAS RN: 2528-39-4

TRIHEXYL PHOSPHATE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250412 25g In stock Shandong Inquiry
Batchno.20260521 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-121102
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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: ＞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 2528-39-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

2528-39-4 / trihexyl phosphate

Standard CAS: 2528-39-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2528-39-4
Multi CAS
No
Molecular Formula
C18H39O4P
Molecular Weight
350.500000
Exact Mass
350.258597
SMILES
CCCCCCOP(=O)(OCCCCCC)OCCCCCC
InChI
InChI=1S/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
InChIKey
SFENPMLASUEABX-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
4
Molar refractivity
97.89
TPSA
44.76

LogP / Solubility

WLOGP
6.89
MLOGP
6.08
XLogP3
6.5
Consensus LogP
6.49
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.81
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.03

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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