CAS RN: 1629063-81-5
gne-131
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250501 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1629063-81-5
- Purity/Analytical Methods: >99.0%
1629063-81-5 / N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide
Basic Information
CAS
1629063-81-5
Multi CAS
No
Molecular Formula
C23H30N4O3S
Molecular Weight
442.600000
Exact Mass
442.203862
SMILES
C1CC1C2=CN3C(=NN=C3NS(=O)(=O)C4CC4)C=C2OCC56CC7CC(C5)CC(C7)C6
InChI
InChI=1S/C23H30N4O3S/c28-31(29,18-3-4-18)26-22-25-24-21-8-20(19(12-27(21)22)17-1-2-17)30-13-23-9-14-5-15(10-23)7-16(6-14)11-23/h8,12,14-18H,1-7,9-11,13H2,(H,25,26)
InChIKey
FPERPEQIXLOVIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
9
Fraction Csp3
0.74
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
116.63
TPSA
85.59
LogP / Solubility
WLOGP
4.11
MLOGP
3.64
XLogP3
4.8
Consensus LogP
4.18
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.78
Class (SILICOS-IT)
Insoluble
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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9
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