CAS RN: 639052-78-1
LH-846
Product Availability
Choose a grade to view its available package options.
9 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251025 | 10mg | In stock | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250509 | 100mg | Out of stock | Inquiry | |
| Batchno.20250722 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250822 | 1g | Out of stock | Inquiry | |
| Batchno.20260118 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250316 | 250mg | Out of stock | Inquiry | |
| Batchno.20251105 | 25mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260120 | 50mg | Out of stock | Inquiry | |
| Batchno.20260610 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS639052-78-1
- Purity/Analytical Methods: >99.0%
639052-78-1 / N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
Basic Information
CAS
639052-78-1
Multi CAS
No
Molecular Formula
C16H13CLN2OS
Molecular Weight
316.800000
Exact Mass
316.043712
InChI
InChI=1S/C16H13ClN2OS/c1-10-7-14-13(9-12(10)17)18-16(21-14)19-15(20)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKey
DYHAMRNAHTWYKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.14
TPSA
41.99
LogP / Solubility
WLOGP
4.44
MLOGP
3.92
XLogP3
4.5
Consensus LogP
4.29
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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