CAS RN: 60508-97-6
(1R,2R)-N,N’-Dimethyl-1,2-diphenyl-1,2-ethylenediamine
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.20260130 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS60508-97-6
- Purity/Analytical Methods: >99.0%
60508-97-6 / (1R,2R)-N,N'-dimethyl-1,2-diphenylethane-1,2-diamine
Basic Information
CAS
60508-97-6
Multi CAS
Yes
Molecular Formula
C16H20N2
Molecular Weight
240.340000
Exact Mass
240.162649
InChI
InChI=1S/C16H20N2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3/t15-,16-/m0/s1
InChIKey
BTHYVQUNQHWNLS-HOTGVXAUSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.49
TPSA
24.06
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
2.4
Consensus LogP
2.62
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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