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CAS 20905-35-5 TRIMETHYLENE BORATE molecular structure lightbox
CAS RN: 20905-35-5

TRIMETHYLENE BORATE

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260627 100g In stock Shanghai Inquiry
Batchno.20260410 10g In stock Shanghai Inquiry
Batchno.20250730 1g In stock Shanghai Inquiry
Batchno.20250519 25g In stock Shanghai Inquiry
Batchno.20250910 5g In stock Shanghai Inquiry
  • Product code: SSC-098531
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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: 100g
  • 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 20905-35-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

20905-35-5 / 2-[3-(1,3,2-dioxaborinan-2-yloxy)propoxy]-1,3,2-dioxaborinane

Standard CAS: 20905-35-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20905-35-5
Multi CAS
No
Molecular Formula
C9H18B2O6
Molecular Weight
243.900000
Exact Mass
244.128949
SMILES
B1(OCCCO1)OCCCOB2OCCCO2
InChI
InChI=1S/C9H18B2O6/c1-4-12-10(13-5-1)16-8-3-9-17-11-14-6-2-7-15-11/h1-9H2
InChIKey
FZNHHPNJQSIEPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
61.07
TPSA
55.38

LogP / Solubility

WLOGP
0.25
MLOGP
0.23
XLogP3
0.25
Consensus LogP
0.24
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately 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)
-4.03

Drug-likeness / Medicinal Chemistry

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

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