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CAS 2395-97-3 9,10-DiMethoxyanthracene molecular structure lightbox
CAS RN: 2395-97-3

9,10-DiMethoxyanthracene

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2395-97-3
  • Purity/Analytical Methods: >99.0%
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2395-97-3 / 9,10-dimethoxyanthracene

Standard CAS: 2395-97-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2395-97-3
Multi CAS
No
Molecular Formula
C16H14O2
Molecular Weight
238.280000
Exact Mass
238.099380
SMILES
COC1=C2C=CC=CC2=C(C3=CC=CC=C31)OC
InChI
InChI=1S/C16H14O2/c1-17-15-11-7-3-5-9-13(11)16(18-2)14-10-6-4-8-12(14)15/h3-10H,1-2H3
InChIKey
JWJMBKSFTTXMLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
74.56
TPSA
18.46

LogP / Solubility

WLOGP
4.01
MLOGP
3.53
XLogP3
4.4
Consensus LogP
3.98
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.33

Drug-likeness / Medicinal Chemistry

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

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