CAS RN: 677723-24-9
(1R,2R)-1,2-di(naphthalen-1-yl)ethane-1,2-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.20251222 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS677723-24-9
- Purity/Analytical Methods: >99.0%
677723-24-9 / 1,2-dinaphthalen-1-ylethane-1,2-diamine
Basic Information
CAS
677723-24-9
Multi CAS
Yes
Molecular Formula
C22H20N2
Molecular Weight
312.400000
Exact Mass
312.162649
InChI
InChI=1S/C22H20N2/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24)20-14-6-10-16-8-2-4-12-18(16)20/h1-14,21-22H,23-24H2/t21-,22-/m1/s1
InChIKey
VVJVMUUCGDSHBT-FGZHOGPDSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
20
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
101.75
TPSA
52.04
LogP / Solubility
WLOGP
4.69
MLOGP
4.14
XLogP3
3.9
Consensus LogP
4.24
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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