CAS RN: 1351360-87-6
WAY-660313
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.20250716 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1351360-87-6
- Purity/Analytical Methods: >99.0%
1351360-87-6 / 4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,2-diol
Basic Information
CAS
1351360-87-6
Multi CAS
No
Molecular Formula
C14H17N3O2S
Molecular Weight
291.370000
Exact Mass
291.104148
SMILES
CN1CCN(CC1)C2=NC(=CS2)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C14H17N3O2S/c1-16-4-6-17(7-5-16)14-15-11(9-20-14)10-2-3-12(18)13(19)8-10/h2-3,8-9,18-19H,4-7H2,1H3
InChIKey
RHRQDVGKYZMNJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
80.59
TPSA
59.83
LogP / Solubility
WLOGP
1.97
MLOGP
1.75
XLogP3
2.2
Consensus LogP
1.97
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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