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CAS 5337-36-0 Trihexyl Borate molecular structure lightbox
CAS RN: 5337-36-0

Trihexyl Borate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250727 5g Out of stock Inquiry
  • Product code: SSC-160687
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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: ≥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 5337-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

5337-36-0 / trihexyl borate

Standard CAS: 5337-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5337-36-0
Multi CAS
No
Molecular Formula
BC18H39O3
Molecular Weight
314.300000
Exact Mass
314.299225
InChI
InChI=1S/C18H39BO3/c1-4-7-10-13-16-20-19(21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
InChIKey
KDQYHGMMZKMQAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
3
Molar refractivity
96.04
TPSA
27.69

LogP / Solubility

WLOGP
5.76
MLOGP
5.08
XLogP3
5.76
Consensus LogP
5.53
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.65
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
No
Log Kp (skin permeation)
-0.55

Drug-likeness / Medicinal Chemistry

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

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