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CAS 727730-31-6 spiro-(adamantane-2,9′-fluorene) molecular structure lightbox
CAS RN: 727730-31-6

spiro-(adamantane-2,9′-fluorene)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-182261
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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: 1g
  • Available purity: ≥97%
  • 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 727730-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

727730-31-6 / spiro[adamantane-2,9'-fluorene]

Standard CAS: 727730-31-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
727730-31-6
Multi CAS
No
Molecular Formula
C22H22
Molecular Weight
286.400000
Exact Mass
286.172151
InChI
InChI=1S/C22H22/c1-3-7-20-18(5-1)19-6-2-4-8-21(19)22(20)16-10-14-9-15(12-16)13-17(22)11-14/h1-8,14-17H,9-13H2
InChIKey
LGYQERJJBDQQHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.45
Molar refractivity
89.7
TPSA
0.0000

LogP / Solubility

WLOGP
5.41
MLOGP
4.77
XLogP3
6.4
Consensus LogP
5.53
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5

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