CAS RN: 1430845-68-3
1-adamantylmethyl-5-methyl-1H-pyrazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250419 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1430845-68-3
- Purity/Analytical Methods: >99.0%
1430845-68-3 / 1-(1-adamantylmethyl)-5-methylpyrazole
Basic Information
CAS
1430845-68-3
Multi CAS
No
Molecular Formula
C15H22N2
Molecular Weight
230.350000
Exact Mass
230.178299
SMILES
CC1=CC=NN1CC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C15H22N2/c1-11-2-3-16-17(11)10-15-7-12-4-13(8-15)6-14(5-12)9-15/h2-3,12-14H,4-10H2,1H3
InChIKey
GFIMJSVZNMGNBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
67.57
TPSA
17.82
LogP / Solubility
WLOGP
3.41
MLOGP
3
XLogP3
3.5
Consensus LogP
3.3
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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