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CAS 13985-15-4 9,10-diMethyl-2,3,6,7-tetraMethoxy-anthracene molecular structure lightbox
CAS RN: 13985-15-4

9,10-diMethyl-2,3,6,7-tetraMethoxy-anthracene

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251006 100mg In stock Shanghai Inquiry
Batchno.20250407 100mg / 250mg / 1g Confirm by inquiry Shandong, Shanghai Inquiry
Batchno.20250423 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260425 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260514 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS13985-15-4
  • Purity/Analytical Methods: >99.0%
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13985-15-4 / 2,3,6,7-tetramethoxy-9,10-dimethylanthracene

Standard CAS: 13985-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13985-15-4
Multi CAS
No
Molecular Formula
C20H22O4
Molecular Weight
326.400000
Exact Mass
326.151809
SMILES
CC1=C2C=C(C(=CC2=C(C3=CC(=C(C=C13)OC)OC)C)OC)OC
InChI
InChI=1S/C20H22O4/c1-11-13-7-17(21-3)19(23-5)9-15(13)12(2)16-10-20(24-6)18(22-4)8-14(11)16/h7-10H,1-6H3
InChIKey
FRIORIWMGKOZPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
97.14
TPSA
36.92

LogP / Solubility

WLOGP
4.64
MLOGP
4.1
XLogP3
5
Consensus LogP
4.58
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble

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
No
Log Kp (skin permeation)
-1.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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