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CAS 38313-16-5 1,8-Dibromo-9,10-anthraquinone molecular structure lightbox
CAS RN: 38313-16-5

1,8-Dibromo-9,10-anthraquinone

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS38313-16-5
  • Purity/Analytical Methods: >99.0%
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38313-16-5 / 1,8-dibromoanthracene-9,10-dione

Standard CAS: 38313-16-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38313-16-5
Multi CAS
No
Molecular Formula
C14H6Br2O2
Molecular Weight
366.000000
Exact Mass
365.871410
SMILES
C1=CC2=C(C(=C1)Br)C(=O)C3=C(C2=O)C=CC=C3Br
InChI
InChI=1S/C14H6Br2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H
InChIKey
QIFCTRBXWWHIFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
75.15
TPSA
34.14

LogP / Solubility

WLOGP
3.99
MLOGP
3.53
XLogP3
4.2
Consensus LogP
3.91
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12

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

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