CAS RN: 502887-71-0
MMP-9-IN-1
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250415 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS502887-71-0
- Purity/Analytical Methods: >99.0%
502887-71-0 / N-[4-(difluoromethoxy)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
Basic Information
CAS
502887-71-0
Multi CAS
Yes
Molecular Formula
C16F2H17N3O3S
Molecular Weight
369.400000
Exact Mass
369.095869
InChI
InChI=1S/C16H17F2N3O3S/c1-2-3-11-8-13(22)21-16(20-11)25-9-14(23)19-10-4-6-12(7-5-10)24-15(17)18/h4-8,15H,2-3,9H2,1H3,(H,19,23)(H,20,21,22)
InChIKey
OLTRRVUORWPRGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
91.28
TPSA
84.08
LogP / Solubility
WLOGP
3.05
MLOGP
2.71
XLogP3
3.2
Consensus LogP
2.99
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
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
Yes
Log Kp (skin permeation)
-2.8
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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