CAS RN: 1169755-45-6
INDY
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250305 | 100mg | Out of stock | Inquiry | |
| Batchno.20250512 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251201 | 250mg | Out of stock | Inquiry | |
| Batchno.20250114 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260101 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251001 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20260110 | 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1169755-45-6
- Purity/Analytical Methods: >99.0%
1169755-45-6 / (1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)propan-2-one
INDY | (1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)propan-2-one | (Z)-1-(3-Ethyl-5-hydroxybenzo[d]thiazol-2(3H)-ylidene)propan-2-one
Basic Information
CAS
1169755-45-6
Multi CAS
Yes
Molecular Formula
C12H13NO2S
Molecular Weight
235.300000
Exact Mass
235.066700
SMILES
CCN\1C2=C(C=CC(=C2)O)S/C1=C\C(=O)C
InChI
InChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3/b12-6-
InChIKey
GCSZJMUFYOAHFY-SDQBBNPISA-N
Synonyms
INDY
(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)propan-2-one
(Z)-1-(3-Ethyl-5-hydroxybenzo[d]thiazol-2(3H)-ylidene)propan-2-one
(1z)-1-(3-Ethyl-5-Hydroxy-1,3-Benzothiazol-2(3h)-Ylidene)propan-2-One
CHEMBL1232500
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.75
TPSA
40.54
LogP / Solubility
WLOGP
2.75
MLOGP
2.43
XLogP3
2.2
Consensus LogP
2.46
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-2.2
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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