[email protected]
CAS 85122-21-0 2-Methoxystypandrone molecular structure lightbox
CAS RN: 85122-21-0

2-Methoxystypandrone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260529 5mg Out of stock Inquiry
  • Product code: starshine_CAS85122-21-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

85122-21-0 / 6-acetyl-5-hydroxy-2-methoxy-7-methylnaphthalene-1,4-dione

Standard CAS: 85122-21-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
85122-21-0
Multi CAS
No
Molecular Formula
C14H12O5
Molecular Weight
260.240000
Exact Mass
260.068473
InChI
InChI=1S/C14H12O5/c1-6-4-8-12(14(18)11(6)7(2)15)9(16)5-10(19-3)13(8)17/h4-5,18H,1-3H3
InChIKey
SSHJHOVVYKCJJI-UHFFFAOYSA-N

Physical Properties

Melting Point
187 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
66.6
TPSA
80.67

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us