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CAS 10439-39-1 ANTHRAQUINONE-D8 molecular structure lightbox
CAS RN: 10439-39-1

ANTHRAQUINONE-D8

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-006154
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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 10439-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

10439-39-1 / 1,2,3,4,5,6,7,8-octadeuterioanthracene-9,10-dione

(~2~H_8_)Anthracene-9,10-dione | DTXSID40574038 | RefChem:211423

Standard CAS: 10439-39-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10439-39-1
Multi CAS
Yes
Molecular Formula
C14H8O2
Molecular Weight
216.260000
Exact Mass
216.102643
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=O)C3=C(C(=C(C(=C3C2=O)[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKey
RZVHIXYEVGDQDX-PGRXLJNUSA-N
Synonyms
(~2~H_8_)Anthracene-9,10-dione DTXSID40574038 RefChem:211423 DTXCID80524810 Anthraquinone-d8

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
59.75
TPSA
34.14

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
3.4
Consensus LogP
2.68
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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