CAS RN: 43088-00-2
4-BENZOTHIAZOL-2-YL-3-CHLORO-PHENYLAMINE
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.20260323 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS43088-00-2
- Purity/Analytical Methods: >99.0%
43088-00-2 / 4-(1,3-benzothiazol-2-yl)-3-chloroaniline
Basic Information
CAS
43088-00-2
Multi CAS
No
Molecular Formula
C13H9CLN2S
Molecular Weight
260.740000
Exact Mass
260.017497
InChI
InChI=1S/C13H9ClN2S/c14-10-7-8(15)5-6-9(10)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2
InChIKey
DRFGKQLPMWOHTF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.48
TPSA
38.91
LogP / Solubility
WLOGP
4.2
MLOGP
3.7
XLogP3
4.2
Consensus LogP
4.03
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.33
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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