CAS RN: 929203-02-1
3TPYMB , Tris(2,4,6-triMethyl-3-(pyridin-3-yl)phenyl)borane
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251119 | 25mg / 100mg / 500mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS929203-02-1
- Purity/Analytical Methods: >99.0%
929203-02-1 / tris(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane
Basic Information
CAS
929203-02-1
Multi CAS
No
Molecular Formula
BC42H42N3
Molecular Weight
599.600000
Exact Mass
599.347179
InChI
InChI=1S/C42H42BN3/c1-25-19-28(4)40(31(7)37(25)34-13-10-16-44-22-34)43(41-29(5)20-26(2)38(32(41)8)35-14-11-17-45-23-35)42-30(6)21-27(3)39(33(42)9)36-15-12-18-46-24-36/h10-24H,1-9H3
InChIKey
RFDGVZHLJCKEPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
36
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
196.31
TPSA
38.67
LogP / Solubility
WLOGP
8.16
MLOGP
7.23
XLogP3
8.16
Consensus LogP
7.85
Log S (ESOL)
-8.88
Class (ESOL)
Insoluble
Log S (Ali)
-10.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.58
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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