CAS RN: 15850-81-4
2-Benzothiazolamine,6-(1-methylethoxy)-(9CI)
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: starshine_CAS15850-81-4
- Purity/Analytical Methods: >99.0%
15850-81-4 / 6-propan-2-yloxy-1,3-benzothiazol-2-amine
Basic Information
CAS
15850-81-4
Multi CAS
No
Molecular Formula
C10H12N2OS
Molecular Weight
208.280000
Exact Mass
208.067034
SMILES
CC(C)OC1=CC2=C(C=C1)N=C(S2)N
InChI
InChI=1S/C10H12N2OS/c1-6(2)13-7-3-4-8-9(5-7)14-10(11)12-8/h3-6H,1-2H3,(H2,11,12)
InChIKey
WFGYJPDSKYTVNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.8
TPSA
48.14
LogP / Solubility
WLOGP
2.67
MLOGP
2.35
XLogP3
3.2
Consensus LogP
2.74
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
N-(6-Ethoxy-2-benzothiazolyl)benzenesulfonaMide
- CAS RN: 15850-94-9
- Product Code: SSC-066852
-
[2S,3R,(-)]-2,3-Dihydroxybutyric acid
- CAS RN: 15851-58-8
- Product Code: starshine_CAS15851-58-8
- Purity/Analytical method: >99.0%
-
ETHYL 2-AMINO-4-(4-METHYLPHENYL)-3-THIOPHENECARBOXYLATE
- CAS RN: 15854-08-7
- Product Code: SSC-066859
-
2-AMINO-4-(2,4-DIMETHYL-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 15854-10-1
- Product Code: SSC-066860
-
-
H-Gly-Leu-NH2 · HCl
- CAS RN: 15855-88-6
- Product Code: starshine_CAS15855-88-6
- Purity/Analytical method: >99.0%
![CAS 15851-58-8 [2S,3R,(-)]-2,3-Dihydroxybutyric acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/15851-58-8.gif)
