![CAS 1454319-47-1 (S)-[2’-Benzyl-[1,1’-binaphthalen]-2-yl]diphenylphosphine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454319-47-1.gif)
CAS RN: 1454319-47-1
(S)-[2’-Benzyl-[1,1’-binaphthalen]-2-yl]diphenylphosphine
- Product code: SSC-056751
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 | Hong Kong | Inquiry |
1454319-47-1 / [1-(2-benzylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
Basic Information
CAS
1454319-47-1
Multi CAS
No
Molecular Formula
C39H29P
Molecular Weight
528.600000
Exact Mass
528.200688
SMILES
C1=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/C39H29P/c1-4-14-29(15-5-1)28-32-25-24-30-16-10-12-22-35(30)38(32)39-36-23-13-11-17-31(36)26-27-37(39)40(33-18-6-2-7-19-33)34-20-8-3-9-21-34/h1-27H,28H2
InChIKey
CGZIZODOPAQZLT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
38
Fraction Csp3
0.03
Rotatable bonds
6
Molar refractivity
174.84
TPSA
0.0000
LogP / Solubility
WLOGP
9.01
MLOGP
7.97
XLogP3
10.7
Consensus LogP
9.23
Log S (ESOL)
-9.1
Class (ESOL)
Insoluble
Log S (Ali)
-10.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.29
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)
0.45
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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