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CAS 21905-84-0 8-CinnolinaMine molecular structure lightbox
CAS RN: 21905-84-0

8-CinnolinaMine

  • Product code: SSC-105451
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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 21905-84-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

21905-84-0 / cinnolin-8-amine

Standard CAS: 21905-84-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21905-84-0
Multi CAS
No
Molecular Formula
C8H7N3
Molecular Weight
145.160000
Exact Mass
145.063997
SMILES
C1=CC2=C(C(=C1)N)N=NC=C2
InChI
InChI=1S/C8H7N3/c9-7-3-1-2-6-4-5-10-11-8(6)7/h1-5H,9H2
InChIKey
RSGJRKSGEFJCKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.95
TPSA
51.8

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
0.5
Consensus LogP
0.92
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

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

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