CAS RN: 207742-80-1
TRIBUTYL BORATE-10B, 98 ATOM % 10B
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.20250213 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS207742-80-1
- Purity/Analytical Methods: >99.0%
207742-80-1 / tributyl borate
Basic Information
CAS
207742-80-1
Multi CAS
No
Molecular Formula
C12H27BO3
Molecular Weight
229.350000
Exact Mass
229.208957
SMILES
[10B](OCCCC)(OCCCC)OCCCC
InChI
InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3/i13-1
InChIKey
LGQXXHMEBUOXRP-HSGWXFLFSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
3
Molar refractivity
68.33
TPSA
27.69
LogP / Solubility
WLOGP
3.42
MLOGP
3.01
XLogP3
3.42
Consensus LogP
3.28
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly 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)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
