CAS RN: 736152-34-4
N-BENZYL-5,7-DIMETHYL-1,3-BENZOTHIAZOL-2-AMINE
- Product code: SSC-183039
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
736152-34-4 / N-benzyl-5,7-dimethyl-1,3-benzothiazol-2-amine
Basic Information
CAS
736152-34-4
Multi CAS
No
Molecular Formula
C16H16N2S
Molecular Weight
268.400000
Exact Mass
268.103420
InChI
InChI=1S/C16H16N2S/c1-11-8-12(2)15-14(9-11)18-16(19-15)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)
InChIKey
HILBZYHLBNQVDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.86
TPSA
24.92
LogP / Solubility
WLOGP
4.53
MLOGP
3.99
XLogP3
4.9
Consensus LogP
4.47
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
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)
-1.14
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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