![CAS 1582249-48-6 (R)-3-[(E)-[[(S)-1-[2-(Diphenylphosphino)phenyl]ethyl]imino]methyl]-[1,1’-binaphthalene]-2,2’-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1582249-48-6.gif)
CAS RN: 1582249-48-6
(R)-3-[(E)-[[(S)-1-[2-(Diphenylphosphino)phenyl]ethyl]imino]methyl]-[1,1’-binaphthalene]-2,2’-diol
- Product code: SSC-066719
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1582249-48-6 / 3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
Basic Information
CAS
1582249-48-6
Multi CAS
No
Molecular Formula
C41H32NO2P
Molecular Weight
601.700000
Exact Mass
601.217066
SMILES
C[C@@H](C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)N=CC4=CC5=CC=CC=C5C(=C4O)C6=C(C=CC7=CC=CC=C76)O
InChI
InChI=1S/C41H32NO2P/c1-28(34-20-12-13-23-38(34)45(32-16-4-2-5-17-32)33-18-6-3-7-19-33)42-27-31-26-30-15-9-11-22-36(30)40(41(31)44)39-35-21-10-8-14-29(35)24-25-37(39)43/h2-28,43-44H,1H3/t28-/m0/s1
InChIKey
SOPVXXDQRYTLSN-NDEPHWFRSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
38
Fraction Csp3
0.05
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
191.38
TPSA
52.82
LogP / Solubility
WLOGP
9.01
MLOGP
7.98
XLogP3
9.7
Consensus LogP
8.9
Log S (ESOL)
-9.41
Class (ESOL)
Insoluble
Log S (Ali)
-11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.89
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.01
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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