CAS RN: 50419-72-2
2-chlorobenzothiazole
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.20260110 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS50419-72-2
- Purity/Analytical Methods: >99.0%
50419-72-2 / 2-amino-3,4,5-trichlorobenzoic acid
Basic Information
CAS
50419-72-2
Multi CAS
No
Molecular Formula
C7H4CL3NO2
Molecular Weight
240.500000
Exact Mass
238.930761
InChI
InChI=1S/C7H4Cl3NO2/c8-3-1-2(7(12)13)6(11)5(10)4(3)9/h1H,11H2,(H,12,13)
InChIKey
BKLCGTIBUBSYTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.84
TPSA
63.32
LogP / Solubility
WLOGP
2.93
MLOGP
2.58
XLogP3
3.2
Consensus LogP
2.9
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
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
Customers Also Viewed
-
2-aMino-5-broMo-3-(trifluoroMethyl)benzoic acid
- CAS RN: 50419-85-7
- Product Code: SSC-156949
-
-
-
-
-
