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CAS 345621-27-4 7-METHYL-1,2,3,4-TETRAHYDRO-ACRIDINE-9-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 345621-27-4

7-METHYL-1,2,3,4-TETRAHYDRO-ACRIDINE-9-CARBOXYLIC ACID

  • Product code: SSC-141038
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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: 0.25g
  • 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 345621-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

345621-27-4 / 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

Standard CAS: 345621-27-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
345621-27-4
Multi CAS
No
Molecular Formula
C15H15NO2
Molecular Weight
241.280000
Exact Mass
241.110279
InChI
InChI=1S/C15H15NO2/c1-9-6-7-13-11(8-9)14(15(17)18)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H,17,18)
InChIKey
ZLAJPSWHTFQIKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.08
TPSA
50.19

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
3.3
Consensus LogP
3.06
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

Drug-likeness / Medicinal Chemistry

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

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