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CAS 21947-87-5 Diisopinocampheylborane molecular structure lightbox
CAS RN: 21947-87-5

Diisopinocampheylborane

  • Product code: SSC-105551
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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: 500ml
  • 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 21947-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
500ml ≥95% 0 Out of Stock Shenzhen Inquiry

21947-87-5 / Diisopinocampheylborane

Standard CAS: 21947-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21947-87-5
Multi CAS
No
Molecular Formula
C20H34B
Molecular Weight
285.300000
Exact Mass
285.275356
SMILES
[B](C1CC2CC(C1C)C2(C)C)C3CC4CC(C3C)C4(C)C
InChI
InChI=1S/C20H34B/c1-11-15-7-13(19(15,3)4)9-17(11)21-18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3
InChIKey
MPQAQJSAYDDROO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
91.57
TPSA
0.0000

LogP / Solubility

WLOGP
5.67
MLOGP
5
XLogP3
5.67
Consensus LogP
5.45
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.46
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.43

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
10

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