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CAS 176097-24-8 1,4-Bis[[(8α,9R)-10,11-dihydro-6′-methoxycinchonan-9-yl]oxy]-9,10-anthracenedione molecular structure lightbox
CAS RN: 176097-24-8

1,4-Bis[[(8α,9R)-10,11-dihydro-6′-methoxycinchonan-9-yl]oxy]-9,10-anthracenedione

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250701 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250604 10mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250912 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260103 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250613 5g Out of stock Inquiry
  • Product code: SSC-077183
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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: ≥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 176097-24-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

176097-24-8 / 1,4-bis[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]anthracene-9,10-dione

Standard CAS: 176097-24-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
176097-24-8
Multi CAS
No
Molecular Formula
C54H56N4O6
Molecular Weight
857.000000
Exact Mass
856.419986
SMILES
CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)OC5=C6C(=C(C=C5)O[C@@H]([C@@H]7C[C@@H]8CCN7C[C@@H]8CC)C9=C1C=C(C=CC1=NC=C9)OC)C(=O)C1=CC=CC=C1C6=O
InChI
InChI=1S/C54H56N4O6/c1-5-31-29-57-23-19-33(31)25-45(57)53(39-17-21-55-43-13-11-35(61-3)27-41(39)43)63-47-15-16-48(50-49(47)51(59)37-9-7-8-10-38(37)52(50)60)64-54(46-26-34-20-24-58(46)30-32(34)6-2)40-18-22-56-44-14-12-36(62-4)28-42(40)44/h7-18,21-22,27-28,31-34,45-46,53-54H,5-6,19-20,23-26,29-30H2,1-4H3/t31-,32-,33-,34-,45-,46-,53+,54+/m0/s1
InChIKey
ARCFYUDCVYJQRN-KESJXZTCSA-N

Computed Properties

Structural Parameters

Heavy atom count
64
Aromatic heavy atom count
32
Fraction Csp3
0.41
Rotatable bonds
12
H-bond acceptors
10
Molar refractivity
246.81
TPSA
103.32

LogP / Solubility

WLOGP
10.06
MLOGP
8.93
XLogP3
9.9
Consensus LogP
9.63
Log S (ESOL)
-11.07
Class (ESOL)
Insoluble
Log S (Ali)
-13.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.02
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)
-0.81

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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