![CAS 229177-78-0 (S)-5,5′,6,6′,7,7′,8,8′-Octahydro-[1,1′-binaphthalene]-2,2′-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/229177-78-0.gif)
CAS RN: 229177-78-0
(S)-5,5′,6,6′,7,7′,8,8′-Octahydro-[1,1′-binaphthalene]-2,2′-diamine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260412 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS229177-78-0
- Purity/Analytical Methods: >99.0%
229177-78-0 / 1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine
Basic Information
CAS
229177-78-0
Multi CAS
No
Molecular Formula
C20H24N2
Molecular Weight
292.400000
Exact Mass
292.193949
SMILES
C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=C3CCCC4)N)N
InChI
InChI=1S/C20H24N2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h9-12H,1-8,21-22H2
InChIKey
ISTHXJXFQJFWNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
93.99
TPSA
52.04
LogP / Solubility
WLOGP
4.28
MLOGP
3.77
XLogP3
4.9
Consensus LogP
4.32
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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