CAS RN: 849062-17-5
“2,2′:5′,2″”-Terthiophene-5-boronic acid pinacol ester, 97%”
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250515 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS849062-17-5
- Purity/Analytical Methods: >99.0%
849062-17-5 / 4,4,5,5-tetramethyl-2-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1,3,2-dioxaborolane
Basic Information
CAS
849062-17-5
Multi CAS
No
Molecular Formula
BC18H19O2S3
Molecular Weight
374.400000
Exact Mass
374.064024
InChI
InChI=1S/C18H19BO2S3/c1-17(2)18(3,4)21-19(20-17)16-10-9-15(24-16)14-8-7-13(23-14)12-6-5-11-22-12/h5-11H,1-4H3
InChIKey
FIUQKESHHZFUGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
106.66
TPSA
18.46
LogP / Solubility
WLOGP
5.5
MLOGP
4.86
XLogP3
5.5
Consensus LogP
5.29
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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