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CAS 77-94-1 Tributyl Citrate molecular structure lightbox
CAS RN: 77-94-1

Tributyl Citrate

  • Product code: SSC-186486
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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: 25ml
  • Available purity: ≥98%
  • 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 77-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥98% 0 Out of Stock Shenzhen Inquiry

77-94-1 / tributyl 2-hydroxypropane-1,2,3-tricarboxylate

Standard CAS: 77-94-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
77-94-1
Multi CAS
Yes
Molecular Formula
C18H32O7
Molecular Weight
360.400000
Exact Mass
360.214803
InChI
InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
InChIKey
ZFOZVQLOBQUTQQ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Colorless or light yellow odorless liquid; [Merck Index]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.83
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
1
Molar refractivity
91.78
TPSA
99.13

LogP / Solubility

WLOGP
2.53
MLOGP
2.24
XLogP3
2.7
Consensus LogP
2.49
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
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
Yes
Log Kp (skin permeation)
-3.12

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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