CAS RN: 46907-09-9
N’-(3,4-Dimethoxybenzyl)-N,N-dimethylpropane-1,3-diamine
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.20250420 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS46907-09-9
- Purity/Analytical Methods: >99.0%
46907-09-9 / N-[(3,4-dimethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
Basic Information
CAS
46907-09-9
Multi CAS
No
Molecular Formula
C14H24N2O2
Molecular Weight
252.350000
Exact Mass
252.183778
InChI
InChI=1S/C14H24N2O2/c1-16(2)9-5-8-15-11-12-6-7-13(17-3)14(10-12)18-4/h6-7,10,15H,5,8-9,11H2,1-4H3
InChIKey
YKVZACPPYQZKKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.42
TPSA
33.73
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
1.3
Consensus LogP
1.53
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.71
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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