CAS RN: 448934-01-8
4-(4-METHYL-1,4-DIAZEPAN-1-YL)BENZYLAMINE 97
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.20250714 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS448934-01-8
- Purity/Analytical Methods: >99.0%
448934-01-8 / [4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine
Basic Information
CAS
448934-01-8
Multi CAS
No
Molecular Formula
C13H21N3
Molecular Weight
219.330000
Exact Mass
219.173548
InChI
InChI=1S/C13H21N3/c1-15-7-2-8-16(10-9-15)13-5-3-12(11-14)4-6-13/h3-6H,2,7-11,14H2,1H3
InChIKey
GYRJZJZERXFNLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.66
TPSA
32.5
LogP / Solubility
WLOGP
1.29
MLOGP
1.14
XLogP3
1.1
Consensus LogP
1.18
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately 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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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