![CAS 1454319-50-6 (S)-[2’-(2-naphthylmethyl)-[1,1’-binaphthalen]-2-yl]diphenylphosphine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454319-50-6.gif)
CAS RN: 1454319-50-6
(S)-[2’-(2-naphthylmethyl)-[1,1’-binaphthalen]-2-yl]diphenylphosphine
- Product code: SSC-056754
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 |
1454319-50-6 / [1-[2-(naphthalen-2-ylmethyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
Basic Information
CAS
1454319-50-6
Multi CAS
No
Molecular Formula
C43H31P
Molecular Weight
578.700000
Exact Mass
578.216338
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)CC7=CC8=CC=CC=C8C=C7
InChI
InChI=1S/C43H31P/c1-3-17-37(18-4-1)44(38-19-5-2-6-20-38)41-28-27-34-15-10-12-22-40(34)43(41)42-36(26-25-33-14-9-11-21-39(33)42)30-31-23-24-32-13-7-8-16-35(32)29-31/h1-29H,30H2
InChIKey
HSQZUSOMZGVWKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
42
Fraction Csp3
0.02
Rotatable bonds
6
Molar refractivity
192.35
TPSA
0.0000
LogP / Solubility
WLOGP
10.16
MLOGP
8.99
XLogP3
11.9
Consensus LogP
10.35
Log S (ESOL)
-10.14
Class (ESOL)
Insoluble
Log S (Ali)
-11.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.58
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)
0.97
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
6.5
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