[email protected]
CAS 79560-36-4 1,3-DIHYDROXY-2-METHOXYMETHYLANTHRAQUINONE molecular structure lightbox
CAS RN: 79560-36-4

1,3-DIHYDROXY-2-METHOXYMETHYLANTHRAQUINONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250804 5mg Out of stock Inquiry
  • Product code: starshine_CAS79560-36-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

79560-36-4 / 1,3-dihydroxy-2-(methoxymethyl)anthracene-9,10-dione

Standard CAS: 79560-36-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79560-36-4
Multi CAS
No
Molecular Formula
C16H12O5
Molecular Weight
284.260000
Exact Mass
284.068473
InChI
InChI=1S/C16H12O5/c1-21-7-11-12(17)6-10-13(16(11)20)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,17,20H,7H2,1H3
InChIKey
OBAYLECORSQIQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.79
TPSA
83.83

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
2.4
Consensus LogP
2.07
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly 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)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us