![CAS 380349-35-9 (5,6-DIHYDRO-4H-[1,3]THIAZIN-2-YL)-(4-ETHYL-PHENYL)-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2770518(1).gif)
CAS RN: 380349-35-9
(5,6-DIHYDRO-4H-[1,3]THIAZIN-2-YL)-(4-ETHYL-PHENYL)-AMINE
- Product code: SSC-145489
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
380349-35-9 / N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
Basic Information
CAS
380349-35-9
Multi CAS
No
Molecular Formula
C12H16N2S
Molecular Weight
220.340000
Exact Mass
220.103420
InChI
InChI=1S/C12H16N2S/c1-2-10-4-6-11(7-5-10)14-12-13-8-3-9-15-12/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChIKey
OSKCNZZSIHVFTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.82
TPSA
24.39
LogP / Solubility
WLOGP
3.15
MLOGP
2.78
XLogP3
2.9
Consensus LogP
2.94
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-1.82
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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