![CAS 2129645-35-6 [1,1′-Binaphthalene]-2,2′-diol, 5,5′,6,6′,7,7′,8,8′-octahydro-3,3′-bis(4-nitrophenyl)-, (1S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2129645-35-6.png)
CAS RN: 2129645-35-6
[1,1′-Binaphthalene]-2,2′-diol, 5,5′,6,6′,7,7′,8,8′-octahydro-3,3′-bis(4-nitrophenyl)-, (1S)-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250729 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20251113 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260609 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20251205 | 250mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry | |
| Batchno.20250429 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: starshine_CAS2129645-35-6
- Purity/Analytical Methods: >99.0%
2129645-35-6 / 1-[2-hydroxy-3-(4-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(4-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
Basic Information
CAS
2129645-35-6
Multi CAS
No
Molecular Formula
C32H28N2O6
Molecular Weight
536.600000
Exact Mass
536.194737
SMILES
C1CCC2=C(C(=C(C=C2C1)C3=CC=C(C=C3)[N+](=O)[O-])O)C4=C5CCCCC5=CC(=C4O)C6=CC=C(C=C6)[N+](=O)[O-]
InChI
InChI=1S/C32H28N2O6/c35-31-27(19-9-13-23(14-10-19)33(37)38)17-21-5-1-3-7-25(21)29(31)30-26-8-4-2-6-22(26)18-28(32(30)36)20-11-15-24(16-12-20)34(39)40/h9-18,35-36H,1-8H2
InChIKey
JSESLMBODIOLEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
152.67
TPSA
126.74
LogP / Solubility
WLOGP
7.67
MLOGP
6.79
XLogP3
8.5
Consensus LogP
7.65
Log S (ESOL)
-8.11
Class (ESOL)
Insoluble
Log S (Ali)
-9.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.55
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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