![CAS 1661883-77-7 2’-[2-Biphenylyl(hydroxy)methyl]-2-hydroxy-3-(diphenylphosphino)-[1,1’-binaphthalene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1661883-77-7.gif)
CAS RN: 1661883-77-7
2’-[2-Biphenylyl(hydroxy)methyl]-2-hydroxy-3-(diphenylphosphino)-[1,1’-binaphthalene]
- Product code: SSC-072555
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 | Beijing | Inquiry |
1661883-77-7 / 3-diphenylphosphanyl-1-[2-[hydroxy-(2-phenylphenyl)methyl]naphthalen-1-yl]naphthalen-2-ol
Basic Information
CAS
1661883-77-7
Multi CAS
No
Molecular Formula
C45H33O2P
Molecular Weight
636.700000
Exact Mass
636.221817
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C(C3=C(C4=CC=CC=C4C=C3)C5=C(C(=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8)O)O
InChI
InChI=1S/C45H33O2P/c46-44(39-27-15-14-24-36(39)31-16-4-1-5-17-31)40-29-28-32-18-10-12-25-37(32)42(40)43-38-26-13-11-19-33(38)30-41(45(43)47)48(34-20-6-2-7-21-34)35-22-8-3-9-23-35/h1-30,44,46-47H
InChIKey
WZGMVRFGSBNPPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
44
Fraction Csp3
0.02
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
203.2
TPSA
40.46
LogP / Solubility
WLOGP
9.87
MLOGP
8.74
XLogP3
10.8
Consensus LogP
9.8
Log S (ESOL)
-10.22
Class (ESOL)
Insoluble
Log S (Ali)
-11.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.83
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)
0.41
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
7
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