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CAS 1887794-22-0 X60 molecular structure lightbox
CAS RN: 1887794-22-0

X60

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250818 25mg / 100mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260212 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-087886
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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: 0.25g
  • 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 1887794-22-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

1887794-22-0 / 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,2',7,7'-tetramine

Standard CAS: 1887794-22-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1887794-22-0
Multi CAS
No
Molecular Formula
C81H68N4O9
Molecular Weight
1241.400000
Exact Mass
1240.498630
SMILES
COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)C5=C(C46C7=C(C=CC(=C7)N(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)OC1=C6C=C(C=C1)N(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C=C(C=C5)N(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC
InChI
InChI=1S/C81H68N4O9/c1-86-65-29-9-53(10-30-65)82(54-11-31-66(87-2)32-12-54)61-25-45-73-74-46-26-62(83(55-13-33-67(88-3)34-14-55)56-15-35-68(89-4)36-16-56)50-76(74)81(75(73)49-61)77-51-63(84(57-17-37-69(90-5)38-18-57)58-19-39-70(91-6)40-20-58)27-47-79(77)94-80-48-28-64(52-78(80)81)85(59-21-41-71(92-7)42-22-59)60-23-43-72(93-8)44-24-60/h9-52H,1-8H3
InChIKey
BSBVJQUURRFRGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
94
Aromatic heavy atom count
72
Fraction Csp3
0.11
Rotatable bonds
20
H-bond acceptors
13
Molar refractivity
374.97
TPSA
96.03

LogP / Solubility

WLOGP
20.1
MLOGP
17.82
XLogP3
19
Consensus LogP
18.97
Log S (ESOL)
-19.45
Class (ESOL)
Insoluble
Log S (Ali)
-24.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-26.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.98

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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