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CAS 144675-97-8 Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-aminoethyl)amino)-, (2Z)-2- butenedioate (1:2) molecular structure lightbox
CAS RN: 144675-97-8

Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-aminoethyl)amino)-, (2Z)-2- butenedioate (1:2)

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250511 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250108 1mg In stock Shanghai Inquiry
Batchno.20250426 50mg In stock Shanghai, Wuhan Inquiry
Batchno.20250307 5mg In stock Shanghai, Wuhan Inquiry
Batchno.20260316 5mg / 50mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS144675-97-8
  • Purity/Analytical Methods: >99.0%
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144675-97-8 / 6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione;bis((Z)-but-2-enedioic acid)

Standard CAS: 144675-97-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
144675-97-8
Multi CAS
No
Molecular Formula
C25H27N5O10
Molecular Weight
557.500000
Exact Mass
557.175792
SMILES
C1=CC(=C2C(=O)C3=C(C(=O)C2=C1NCCN)C=CN=C3)NCCN.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C17H19N5O2.2C4H4O4/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24;2*5-3(6)1-2-4(7)8/h1-3,6,9,21-22H,4-5,7-8,18-19H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey
SVAGFBGXEWPNJC-SPIKMXEPSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.16
Rotatable bonds
10
H-bond acceptors
11
H-bond donors
8
Molar refractivity
141.46
TPSA
272.33

LogP / Solubility

WLOGP
0.02
MLOGP
0.06
XLogP3
0.02
Consensus LogP
0.03
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.11

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H300 (50%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (50%): Fatal in contact with skin [Danger Acute toxicity, dermal] H330 (50%): Fatal if inhaled [Danger Acute toxicity, inhalation] H341 (50%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H361d (50%): Suspected of damaging the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P308+P316, P316, P318, P320, P321, P330, P361+P364, P403+P233, P405, and P501

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