![CAS 1620055-21-1 (3-(benzo[d]thiazol-2-yl)-2-hydroxy-5-methylbenzaldehyde) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1620055-21-1.gif)
CAS RN: 1620055-21-1
(3-(benzo[d]thiazol-2-yl)-2-hydroxy-5-methylbenzaldehyde)
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.20260313 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1620055-21-1
- Purity/Analytical Methods: >99.0%
1620055-21-1 / 3-(1,3-benzothiazol-2-yl)-2-hydroxy-5-methylbenzaldehyde
Basic Information
CAS
1620055-21-1
Multi CAS
No
Molecular Formula
C15H11NO2S
Molecular Weight
269.300000
Exact Mass
269.051050
SMILES
CC1=CC(=C(C(=C1)C2=NC3=CC=CC=C3S2)O)C=O
InChI
InChI=1S/C15H11NO2S/c1-9-6-10(8-17)14(18)11(7-9)15-16-12-4-2-3-5-13(12)19-15/h2-8,18H,1H3
InChIKey
KBXQWCNIDPFYDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.85
TPSA
50.19
LogP / Solubility
WLOGP
3.79
MLOGP
3.34
XLogP3
4.1
Consensus LogP
3.74
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
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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