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CAS 81-63-0 1,4-Diamino-2,3-dihydroanthraquinone molecular structure lightbox
CAS RN: 81-63-0

1,4-Diamino-2,3-dihydroanthraquinone

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 100g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251111 1kg Out of stock Inquiry
Batchno.20260425 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250521 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250525 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS81-63-0
  • Purity/Analytical Methods: >99.0%
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81-63-0 / 1,4-diimino-2,3-dihydroanthracene-9,10-diol

Standard CAS: 81-63-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81-63-0
Multi CAS
No
Molecular Formula
C14H12N2O2
Molecular Weight
240.260000
Exact Mass
240.089878
InChI
InChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,15-18H,5-6H2
InChIKey
UFVDYITXJBCPMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
4
Molar refractivity
70.17
TPSA
88.16

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
1.8
Consensus LogP
2.34
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.21

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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