![CAS 2941-59-5 2-Iodo-6-methoxybenzo[d]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2941-59-5.gif)
CAS RN: 2941-59-5
2-Iodo-6-methoxybenzo[d]thiazole
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.20251031 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2941-59-5
- Purity/Analytical Methods: >99.0%
2941-59-5 / 2-iodo-6-methoxy-1,3-benzothiazole
Basic Information
CAS
2941-59-5
Multi CAS
No
Molecular Formula
C8H6InOS
Molecular Weight
291.110000
Exact Mass
290.921480
InChI
InChI=1S/C8H6INOS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3
InChIKey
XDRSTSSPRCOKQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.89
TPSA
22.12
LogP / Solubility
WLOGP
2.91
MLOGP
2.57
XLogP3
3
Consensus LogP
2.83
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.09
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
