![CAS 837392-69-5 2-Methylbenzo[d]thiazol-6-ylboronic acid pinacol ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/837392-69-5.gif)
CAS RN: 837392-69-5
2-Methylbenzo[d]thiazol-6-ylboronic acid pinacol ester
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.20260424 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS837392-69-5
- Purity/Analytical Methods: >99.0%
837392-69-5 / 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole
Basic Information
CAS
837392-69-5
Multi CAS
No
Molecular Formula
BC14H18NO2S
Molecular Weight
275.200000
Exact Mass
275.115130
InChI
InChI=1S/C14H18BNO2S/c1-9-16-11-7-6-10(8-12(11)19-9)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3
InChIKey
VRSPWYOVZXBUGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
80.07
TPSA
31.35
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
2.9
Consensus LogP
2.79
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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