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: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
26456-05-3 / 10-methylacridin-10-ium perchlorate
Basic Information
CAS
26456-05-3
Multi CAS
No
Molecular Formula
C14H12ClNO4
Molecular Weight
293.700000
Exact Mass
293.045486
SMILES
C[N+]1=C2C=CC=CC2=CC3=CC=CC=C31.[O-]Cl(=O)(=O)=O
InChI
InChI=1S/C14H12N.ClHO4/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;2-1(3,4)5/h2-10H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey
UTTIEKPPJSQKJC-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.07
H-bond acceptors
4
Molar refractivity
62.63
TPSA
96.12
LogP / Solubility
WLOGP
-1.94
MLOGP
-1.69
XLogP3
-1.94
Consensus LogP
-1.86
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.04
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-5.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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