![CAS 299442-02-7 5-[2-(3,4-DIMETHOXY-PHENYL)-ETHYL]-[1,3,4]-THIADIAZOL-2-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/299442-02-7.png)
CAS RN: 299442-02-7
5-[2-(3,4-DIMETHOXY-PHENYL)-ETHYL]-[1,3,4]-THIADIAZOL-2-YLAMINE
- Product code: SSC-133361
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
299442-02-7 / 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
Basic Information
CAS
299442-02-7
Multi CAS
Yes
Molecular Formula
C12H15N3O2S
Molecular Weight
265.330000
Exact Mass
265.088498
InChI
InChI=1S/C12H15N3O2S/c1-16-9-5-3-8(7-10(9)17-2)4-6-11-14-15-12(13)18-11/h3,5,7H,4,6H2,1-2H3,(H2,13,15)
InChIKey
IEPOHUODXGSYHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
71.28
TPSA
70.26
LogP / Solubility
WLOGP
1.92
MLOGP
1.7
XLogP3
2.2
Consensus LogP
1.94
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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