![CAS 1454319-49-3 (S)-[2’-(4-Methylbenzyl)-[1,1’-binaphthalen]-2-yl]diphenylphosphine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454319-49-3.gif)
CAS RN: 1454319-49-3
(S)-[2’-(4-Methylbenzyl)-[1,1’-binaphthalen]-2-yl]diphenylphosphine
- Product code: SSC-056753
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 | Shanghai | Inquiry |
1454319-49-3 / [1-[2-[(4-methylphenyl)methyl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
Basic Information
CAS
1454319-49-3
Multi CAS
No
Molecular Formula
C40H31P
Molecular Weight
542.600000
Exact Mass
542.216338
SMILES
CC1=CC=C(C=C1)CC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C40H31P/c1-29-20-22-30(23-21-29)28-33-25-24-31-12-8-10-18-36(31)39(33)40-37-19-11-9-13-32(37)26-27-38(40)41(34-14-4-2-5-15-34)35-16-6-3-7-17-35/h2-27H,28H2,1H3
InChIKey
SPZAKODVEBWFOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
38
Fraction Csp3
0.05
Rotatable bonds
6
Molar refractivity
179.58
TPSA
0.0000
LogP / Solubility
WLOGP
9.32
MLOGP
8.24
XLogP3
11
Consensus LogP
9.52
Log S (ESOL)
-9.36
Class (ESOL)
Insoluble
Log S (Ali)
-10.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.64
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)
0.59
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
6
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