[email protected]
CAS 128-94-9 1 8-DIAMINO-4 5-DIHYDROXYANTHRAQUINONE molecular structure lightbox
CAS RN: 128-94-9

1 8-DIAMINO-4 5-DIHYDROXYANTHRAQUINONE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260228 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS128-94-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

128-94-9 / 1,8-diamino-4,5-dihydroxyanthracene-9,10-dione

Standard CAS: 128-94-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
128-94-9
Multi CAS
No
Molecular Formula
C14H10N2O4
Molecular Weight
270.240000
Exact Mass
270.064057
SMILES
C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)O)N)O
InChI
InChI=1S/C14H10N2O4/c15-5-1-3-7(17)11-9(5)13(19)10-6(16)2-4-8(18)12(10)14(11)20/h1-4,17-18H,15-16H2
InChIKey
SJHHHHHQWQOCDQ-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
H-bond acceptors
6
H-bond donors
4
Molar refractivity
71.9
TPSA
126.64

LogP / Solubility

WLOGP
1.04
MLOGP
0.92
XLogP3
1.9
Consensus LogP
1.29
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (90.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (90.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us