![CAS 1451057-19-4 (1R,1’R)-1,1’-[(S)-[1,1’-Binaphthalene]-2,2’-diyl]bis(2-propen-1-ol) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1451057-19-4.gif)
CAS RN: 1451057-19-4
(1R,1’R)-1,1’-[(S)-[1,1’-Binaphthalene]-2,2’-diyl]bis(2-propen-1-ol)
- Product code: SSC-056483
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1451057-19-4 / (1R)-1-[1-[2-[(1R)-1-hydroxyprop-2-enyl]naphthalen-1-yl]naphthalen-2-yl]prop-2-en-1-ol
Basic Information
CAS
1451057-19-4
Multi CAS
No
Molecular Formula
C26H22O2
Molecular Weight
366.400000
Exact Mass
366.161980
SMILES
C=C[C@H](C1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)[C@@H](C=C)O)O
InChI
InChI=1S/C26H22O2/c1-3-23(27)21-15-13-17-9-5-7-11-19(17)25(21)26-20-12-8-6-10-18(20)14-16-22(26)24(28)4-2/h3-16,23-24,27-28H,1-2H2
InChIKey
OXTCAIAYEXTSKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
117.2
TPSA
40.46
LogP / Solubility
WLOGP
6.1
MLOGP
5.39
XLogP3
6
Consensus LogP
5.83
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.7
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)
-0.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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