CAS RN: 929634-33-3
ADAMTS-5
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260208 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS929634-33-3
- Purity/Analytical Methods: >99.0%
929634-33-3 / (5Z)-5-[[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Basic Information
CAS
929634-33-3
Multi CAS
Yes
Molecular Formula
C16H11CLF3N3OS3
Molecular Weight
449.900000
Exact Mass
448.970488
InChI
InChI=1S/C16H11ClF3N3OS3/c1-23-14(26-7-8-2-4-9(17)5-3-8)10(12(22-23)16(18,19)20)6-11-13(24)21-15(25)27-11/h2-6H,7H2,1H3,(H,21,24,25)/b11-6-
InChIKey
CVYPRDPBCXSVBN-WDZFZDKYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
11
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
105.53
TPSA
46.92
LogP / Solubility
WLOGP
4.87
MLOGP
4.32
XLogP3
5
Consensus LogP
4.73
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.11
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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