CAS RN: 149143-57-7
2-(4-HYDROXY-PHENYL)-BENZOTHIAZOLE-6-CARBOXYLIC ACID
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.20250311 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS149143-57-7
- Purity/Analytical Methods: >99.0%
149143-57-7 / 2-(4-hydroxyphenyl)-1,3-benzothiazole-6-carboxylic acid
Basic Information
CAS
149143-57-7
Multi CAS
No
Molecular Formula
C14H9NO3S
Molecular Weight
271.290000
Exact Mass
271.030314
SMILES
C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)C(=O)O)O
InChI
InChI=1S/C14H9NO3S/c16-10-4-1-8(2-5-10)13-15-11-6-3-9(14(17)18)7-12(11)19-13/h1-7,16H,(H,17,18)
InChIKey
YCMUXDJTCIQKIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.68
TPSA
70.42
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
3.4
Consensus LogP
3.25
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly 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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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