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CAS 688-71-1 Tripropyl Borate molecular structure lightbox
CAS RN: 688-71-1

Tripropyl Borate

  • Product code: SSC-178476
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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: 100ml
  • 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 688-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100ml ≥97% 0 Out of Stock Shanghai Inquiry

688-71-1 / tripropyl borate

Standard CAS: 688-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
688-71-1
Multi CAS
No
Molecular Formula
BC9H21O3
Molecular Weight
188.070000
Exact Mass
188.158375
InChI
InChI=1S/C9H21BO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3
InChIKey
LTEHWCSSIHAVOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
3
Molar refractivity
54.48
TPSA
27.69

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
2.25
Consensus LogP
2.16
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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