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CAS 13821-25-5 2,7-diaminobenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone molecular structure lightbox
CAS RN: 13821-25-5

2,7-diaminobenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250808 100mg In stock Shanghai Inquiry
Batchno.20260606 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-048162
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13821-25-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

13821-25-5 / 6,13-diamino-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

Standard CAS: 13821-25-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13821-25-5
Multi CAS
No
Molecular Formula
C14H8N4O4
Molecular Weight
296.240000
Exact Mass
296.054555
SMILES
C1=CC2=C3C(=CC=C4C3=C1C(=O)N(C4=O)N)C(=O)N(C2=O)N
InChI
InChI=1S/C14H8N4O4/c15-17-11(19)5-1-2-6-10-8(14(22)18(16)12(6)20)4-3-7(9(5)10)13(17)21/h1-4H,15-16H2
InChIKey
QFYOBMMQKAQFBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
H-bond acceptors
6
H-bond donors
2
Molar refractivity
73.32
TPSA
126.8

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.18
XLogP3
-0.4
Consensus LogP
-0.27
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-4.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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