CAS RN: 7464-20-2
2-Benzothiazolamine,6-chloro-N,N-dimethyl-(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.20260317 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7464-20-2
- Purity/Analytical Methods: >99.0%
7464-20-2 / 6-chloro-N,N-dimethyl-1,3-benzothiazol-2-amine
Basic Information
CAS
7464-20-2
Multi CAS
No
Molecular Formula
C9H9CLN2S
Molecular Weight
212.700000
Exact Mass
212.017497
InChI
InChI=1S/C9H9ClN2S/c1-12(2)9-11-7-4-3-6(10)5-8(7)13-9/h3-5H,1-2H3
InChIKey
SJCCXELUVHICLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.96
TPSA
16.13
LogP / Solubility
WLOGP
3.02
MLOGP
2.66
XLogP3
3.7
Consensus LogP
3.13
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-1.88
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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