![CAS 1784096-83-8 2,7-Dichloro-6-methoxybenzo[d]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1784096-83-8.png)
CAS RN: 1784096-83-8
2,7-Dichloro-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.20250906 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND900658
1784096-83-8 / 2,7-dichloro-6-methoxy-1,3-benzothiazole
Basic Information
CAS
1784096-83-8
Multi CAS
No
Molecular Formula
C8H5Cl2NOS
Molecular Weight
234.100000
Exact Mass
232.946890
SMILES
COC1=C(C2=C(C=C1)N=C(S2)Cl)Cl
InChI
InChI=1S/C8H5Cl2NOS/c1-12-5-3-2-4-7(6(5)9)13-8(10)11-4/h2-3H,1H3
InChIKey
URUHIOGINWPPKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.19
TPSA
22.12
LogP / Solubility
WLOGP
3.61
MLOGP
3.18
XLogP3
3.9
Consensus LogP
3.56
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
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)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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