![CAS 790232-07-4 4-[2,5-DIMETHYL-1-(TETRAHYDROFURAN-2-YLMETHYL)-1H-PYRROL-3-YL]-1,3-THIAZOL-2-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0161004.gif)
CAS RN: 790232-07-4
4-[2,5-DIMETHYL-1-(TETRAHYDROFURAN-2-YLMETHYL)-1H-PYRROL-3-YL]-1,3-THIAZOL-2-AMINE
- Product code: SSC-188231
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 | Shenzhen | Inquiry |
790232-07-4 / 4-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-1,3-thiazol-2-amine
Basic Information
CAS
790232-07-4
Multi CAS
No
Molecular Formula
C14H19N3OS
Molecular Weight
277.390000
Exact Mass
277.124883
InChI
InChI=1S/C14H19N3OS/c1-9-6-12(13-8-19-14(15)16-13)10(2)17(9)7-11-4-3-5-18-11/h6,8,11H,3-5,7H2,1-2H3,(H2,15,16)
InChIKey
IUSOSUNODUAXAY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.4
TPSA
53.07
LogP / Solubility
WLOGP
2.99
MLOGP
2.64
XLogP3
2.1
Consensus LogP
2.58
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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