![CAS 77376-98-8 3H-Spiro[1,3-benzothiazole-2,4′-oxane] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42554859.gif)
CAS RN: 77376-98-8
3H-Spiro[1,3-benzothiazole-2,4′-oxane]
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.20260108 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS77376-98-8
- Purity/Analytical Methods: >99.0%
77376-98-8 / spiro[3H-1,3-benzothiazole-2,4'-oxane]
Basic Information
CAS
77376-98-8
Multi CAS
No
Molecular Formula
C11H13NOS
Molecular Weight
207.290000
Exact Mass
207.071785
InChI
InChI=1S/C11H13NOS/c1-2-4-10-9(3-1)12-11(14-10)5-7-13-8-6-11/h1-4,12H,5-8H2
InChIKey
BZAXEPUVRHNBAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.71
TPSA
21.26
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
2.5
Consensus LogP
2.53
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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