![CAS 58905-46-7 N1-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N1-(4-METHYLPHENYL)ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58905-46-7.gif)
CAS RN: 58905-46-7
N1-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N1-(4-METHYLPHENYL)ACETAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250622 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS58905-46-7
- Purity/Analytical Methods: >99.0%
58905-46-7 / N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
Basic Information
CAS
58905-46-7
Multi CAS
Yes
Molecular Formula
C13H13CLN2OS
Molecular Weight
280.770000
Exact Mass
280.043712
InChI
InChI=1S/C13H13ClN2OS/c1-9-3-5-12(6-4-9)16(10(2)17)13-15-11(7-14)8-18-13/h3-6,8H,7H2,1-2H3
InChIKey
HXAJBOJONYEPHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
75.67
TPSA
33.2
LogP / Solubility
WLOGP
3.87
MLOGP
3.42
XLogP3
3
Consensus LogP
3.43
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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