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CAS 395116-70-8 BENZYLDI-1-ADAMANTYLPHOSPHINE molecular structure lightbox
CAS RN: 395116-70-8

BENZYLDI-1-ADAMANTYLPHOSPHINE

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250320 100g Out of stock Inquiry
Batchno.20250216 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250403 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20250508 25g In stock Shanghai, Tianjin Inquiry
Batchno.20251225 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-147182
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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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 395116-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

395116-70-8 / bis(1-adamantyl)-benzylphosphane

Standard CAS: 395116-70-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
395116-70-8
Multi CAS
No
Molecular Formula
C27H37P
Molecular Weight
392.600000
Exact Mass
392.263288
InChI
InChI=1S/C27H37P/c1-2-4-19(5-3-1)18-28(26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27/h1-5,20-25H,6-18H2
InChIKey
ANIAFEJRWQDKDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.78
Rotatable bonds
4
Molar refractivity
118.87
TPSA
0.0000

LogP / Solubility

WLOGP
7.61
MLOGP
6.72
XLogP3
6.8
Consensus LogP
7.04
Log S (ESOL)
-6.96
Class (ESOL)
Insoluble
Log S (Ali)
-8.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.29

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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