![CAS 915038-18-5 R-3,3′-bis(4-chlorophenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/915038-18-5.gif)
CAS RN: 915038-18-5
R-3,3′-bis(4-chlorophenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-Binaphthalene]-2,2′-diol
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250506 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS915038-18-5
- Purity/Analytical Methods: >99.0%
915038-18-5 / 3-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
Basic Information
CAS
915038-18-5
Multi CAS
No
Molecular Formula
C32H28CL2O2
Molecular Weight
515.500000
Exact Mass
514.146636
InChI
InChI=1S/C32H28Cl2O2/c33-23-13-9-19(10-14-23)27-17-21-5-1-3-7-25(21)29(31(27)35)30-26-8-4-2-6-22(26)18-28(32(30)36)20-11-15-24(34)16-12-20/h9-18,35-36H,1-8H2
InChIKey
DUHAXRXMBIIVCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
149.38
TPSA
40.46
LogP / Solubility
WLOGP
9.16
MLOGP
8.1
XLogP3
10.1
Consensus LogP
9.12
Log S (ESOL)
-9.1
Class (ESOL)
Insoluble
Log S (Ali)
-10.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.64
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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