![CAS 1007375-81-6 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1007375-81-6.gif)
CAS RN: 1007375-81-6
2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]thiazole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250629 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1007375-81-6
- Purity/Analytical Methods: >99.0%
1007375-81-6 / 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzothiazole
2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]thiazole | MFCD28966742 | 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzothiazole
Basic Information
CAS
1007375-81-6
Multi CAS
No
Molecular Formula
C19H20BNO2S
Molecular Weight
337.200000
Exact Mass
337.130780
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C19H20BNO2S/c1-18(2)19(3,4)23-20(22-18)14-11-9-13(10-12-14)17-21-15-7-5-6-8-16(15)24-17/h5-12H,1-4H3
InChIKey
JHXCWPKYKVFZCG-UHFFFAOYSA-N
Synonyms
2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[d]thiazole
MFCD28966742
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzothiazole
C19H20BNO2S
SCHEMBL1448847
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
100.77
TPSA
31.35
LogP / Solubility
WLOGP
4.26
MLOGP
3.77
XLogP3
4.26
Consensus LogP
4.1
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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