![CAS 852916-56-4 N-[3-[4-(2-AMINO-1,3-THIAZOL-4-YL)PHENYL]PROPYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2422590.gif)
CAS RN: 852916-56-4
N-[3-[4-(2-AMINO-1,3-THIAZOL-4-YL)PHENYL]PROPYL]ACETAMIDE
- Product code: SSC-193629
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 | Shenzhen | Inquiry |
852916-56-4 / N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propyl]acetamide
Basic Information
CAS
852916-56-4
Multi CAS
No
Molecular Formula
C14H17N3OS
Molecular Weight
275.370000
Exact Mass
275.109233
InChI
InChI=1S/C14H17N3OS/c1-10(18)16-8-2-3-11-4-6-12(7-5-11)13-9-19-14(15)17-13/h4-7,9H,2-3,8H2,1H3,(H2,15,17)(H,16,18)
InChIKey
YOUJDBHDDBOOEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
78.97
TPSA
68.01
LogP / Solubility
WLOGP
2.46
MLOGP
2.17
XLogP3
2.2
Consensus LogP
2.28
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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