CAS RN: 60479-64-3
(-)-N,N-DIBENZYL-D-ALANINOL
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.20260113 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS60479-64-3
- Purity/Analytical Methods: >99.0%
60479-64-3 / 2-(dibenzylamino)propan-1-ol
Basic Information
CAS
60479-64-3
Multi CAS
Yes
Molecular Formula
C17H21NO
Molecular Weight
255.350000
Exact Mass
255.162314
InChI
InChI=1S/C17H21NO/c1-15(14-19)18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3/t15-/m1/s1
InChIKey
IEEFFKXJADVWJO-OAHLLOKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.68
TPSA
23.47
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
3
Consensus LogP
2.93
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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