![CAS 851288-86-3 2-CHLORO-N-[3-(2-METHYL-1,3-THIAZOL-4-YL)PHENYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8479758.gif)
CAS RN: 851288-86-3
2-CHLORO-N-[3-(2-METHYL-1,3-THIAZOL-4-YL)PHENYL]ACETAMIDE
- Product code: SSC-193251
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
851288-86-3 / 2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
Basic Information
CAS
851288-86-3
Multi CAS
No
Molecular Formula
C12H11CLN2OS
Molecular Weight
266.750000
Exact Mass
266.028062
InChI
InChI=1S/C12H11ClN2OS/c1-8-14-11(7-17-8)9-3-2-4-10(5-9)15-12(16)6-13/h2-5,7H,6H2,1H3,(H,15,16)
InChIKey
ZFQCNRJGUFAUAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.64
TPSA
41.99
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
2.8
Consensus LogP
3
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
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)
-2.01
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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