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CAS 28109-72-0 1,2-Bis(3-butenyl)carborane molecular structure lightbox
CAS RN: 28109-72-0

1,2-Bis(3-butenyl)carborane

  • Product code: SSC-128802
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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: 0.25g
  • Available purity: ≥95%
  • 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 28109-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

28109-72-0 / 1,2-Bis(3-butenyl)carborane

Standard CAS: 28109-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28109-72-0
Multi CAS
No
Molecular Formula
C10H15B10
Molecular Weight
243.400000
Exact Mass
243.217691
InChI
InChI=1S/C10H15B10/c1-3-5-7-9-10(8-6-4-2)11-13-14-15-16-17-18-19-20(9)12-10/h3-4,9H,1-2,5-8H2
InChIKey
UGQCVFHRGHJYMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.6
Rotatable bonds
6
Molar refractivity
102.85
TPSA
0.0000

LogP / Solubility

WLOGP
-0.34
MLOGP
-0.29
XLogP3
-0.34
Consensus LogP
-0.32
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-4.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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