CAS RN: 21205-91-4
9-BBN DIMER
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250625 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS21205-91-4
- Purity/Analytical Methods: >99.0%
21205-91-4 / 9-(9-borabicyclo[3.3.1]nonan-9-yl)-9-borabicyclo[3.3.1]nonane
Basic Information
CAS
21205-91-4
Multi CAS
No
Molecular Formula
C16H28B2
Molecular Weight
242.000000
Exact Mass
242.237711
SMILES
B1(C2CCCC1CCC2)B3C4CCCC3CCC4
InChI
InChI=1S/C16H28B2/c1-5-13-7-2-8-14(6-1)17(13)18-15-9-3-10-16(18)12-4-11-15/h13-16H,1-12H2
InChIKey
IYDIZBOKVLHCQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
81.91
TPSA
0.0000
LogP / Solubility
WLOGP
5.27
MLOGP
4.64
XLogP3
5.27
Consensus LogP
5.06
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-0.45
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
6
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