CAS RN: 53317-09-2
BETA-BENZYL-9-BBN
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250923 | 100mL | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS53317-09-2
- Purity/Analytical Methods: >99.0%
53317-09-2 / 9-benzyl-9-borabicyclo[3.3.1]nonane
Basic Information
CAS
53317-09-2
Multi CAS
No
Molecular Formula
BC15H21
Molecular Weight
212.140000
Exact Mass
212.173631
InChI
InChI=1S/C15H21B/c1-2-6-13(7-3-1)12-16-14-8-4-9-15(16)11-5-10-14/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey
IQRBNRFCRAJXJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
Molar refractivity
71.1
TPSA
0.0000
LogP / Solubility
WLOGP
4.37
MLOGP
3.85
XLogP3
4.37
Consensus LogP
4.2
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
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)
-0.91
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
3.5
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