CAS RN: 51482-98-5
2-Benzothiazolamine,4-chloro-6-methoxy-(9CI)
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.20260510 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS51482-98-5
- Purity/Analytical Methods: >99.0%
51482-98-5 / 4-chloro-6-methoxy-1,3-benzothiazol-2-amine
Basic Information
CAS
51482-98-5
Multi CAS
No
Molecular Formula
C8H7CLN2OS
Molecular Weight
214.670000
Exact Mass
213.996762
InChI
InChI=1S/C8H7ClN2OS/c1-12-4-2-5(9)7-6(3-4)13-8(10)11-7/h2-3H,1H3,(H2,10,11)
InChIKey
YJUOEUURDAGAQM-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
4
H-bond donors
1
Molar refractivity
55.59
TPSA
48.14
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.7
Consensus LogP
2.49
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-2.23
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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