![CAS 224311-55-1 [1,1′-Biphenyl]-2-yldi[(3S,5S,7S)-1-adamantanyl]phosphine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/224311-55-1.gif)
CAS RN: 224311-55-1
[1,1′-Biphenyl]-2-yldi[(3S,5S,7S)-1-adamantanyl]phosphine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250307 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-109401
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
224311-55-1 / bis(1-adamantyl)-(2-phenylphenyl)phosphane
Basic Information
CAS
224311-55-1
Multi CAS
No
Molecular Formula
C32H39P
Molecular Weight
454.600000
Exact Mass
454.278938
SMILES
C1C2CC3CC1CC(C2)(C3)P(C4=CC=CC=C4C5=CC=CC=C5)C67CC8CC(C6)CC(C8)C7
InChI
InChI=1S/C32H39P/c1-2-6-28(7-3-1)29-8-4-5-9-30(29)33(31-16-22-10-23(17-31)12-24(11-22)18-31)32-19-25-13-26(20-32)15-27(14-25)21-32/h1-9,22-27H,10-21H2
InChIKey
MSKLBRMTWIUCEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
4
Molar refractivity
140.24
TPSA
0.0000
LogP / Solubility
WLOGP
8.4
MLOGP
7.42
XLogP3
8.5
Consensus LogP
8.11
Log S (ESOL)
-7.95
Class (ESOL)
Insoluble
Log S (Ali)
-9.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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