![CAS 51793-90-9 NAPHTHO[1,2-D][1,3]OXAZOLE-2-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51793-90-9.gif)
CAS RN: 51793-90-9
NAPHTHO[1,2-D][1,3]OXAZOLE-2-THIOL
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.20260405 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS51793-90-9
- Purity/Analytical Methods: >99.0%
51793-90-9 / 1H-benzo[e][1,3]benzoxazole-2-thione
Basic Information
CAS
51793-90-9
Multi CAS
Yes
Molecular Formula
C11H7NOS
Molecular Weight
201.250000
Exact Mass
201.024835
InChI
InChI=1S/C11H7NOS/c14-11-12-10-8-4-2-1-3-7(8)5-6-9(10)13-11/h1-6H,(H,12,14)
InChIKey
YTKBFKULVLPEIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.9
TPSA
28.93
LogP / Solubility
WLOGP
3.64
MLOGP
3.21
XLogP3
3
Consensus LogP
3.28
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-1.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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