CAS RN: 885670-60-0
S-3,3′-Bis(4-methylphenyl-1,1′-bi-2-naphthol
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.20250424 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS885670-60-0
- Purity/Analytical Methods: >99.0%
885670-60-0 / 1-[2-hydroxy-3-(4-methylphenyl)naphthalen-1-yl]-3-(4-methylphenyl)naphthalen-2-ol
Basic Information
CAS
885670-60-0
Multi CAS
No
Molecular Formula
C34H26O2
Molecular Weight
466.600000
Exact Mass
466.193280
InChI
InChI=1S/C34H26O2/c1-21-11-15-23(16-12-21)29-19-25-7-3-5-9-27(25)31(33(29)35)32-28-10-6-4-8-26(28)20-30(34(32)36)24-17-13-22(2)14-18-24/h3-20,35-36H,1-2H3
InChIKey
LZFDQAQHDCFEBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
32
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
150.57
TPSA
40.46
LogP / Solubility
WLOGP
9.02
MLOGP
7.97
XLogP3
9.3
Consensus LogP
8.76
Log S (ESOL)
-8.88
Class (ESOL)
Insoluble
Log S (Ali)
-9.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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