CAS RN: 690632-22-5
1-(MESITYLMETHYL)-1,4-DIAZEPANE
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.20250613 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS690632-22-5
- Purity/Analytical Methods: >99.0%
690632-22-5 / 1-[(2,4,6-trimethylphenyl)methyl]-1,4-diazepane
Basic Information
CAS
690632-22-5
Multi CAS
No
Molecular Formula
C15H24N2
Molecular Weight
232.360000
Exact Mass
232.193949
InChI
InChI=1S/C15H24N2/c1-12-9-13(2)15(14(3)10-12)11-17-7-4-5-16-6-8-17/h9-10,16H,4-8,11H2,1-3H3
InChIKey
FNKQURSLYXVLGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.42
TPSA
15.27
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.6
Consensus LogP
2.38
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly 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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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