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CAS 380437-35-4 2-TERT-BUTYL-4-(4-CHLORO-BENZYLIDENE)-1,2,3,4-TETRAHYDRO-ACRIDINE-9-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 380437-35-4

2-TERT-BUTYL-4-(4-CHLORO-BENZYLIDENE)-1,2,3,4-TETRAHYDRO-ACRIDINE-9-CARBOXYLIC ACID

  • Product code: SSC-145529
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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 380437-35-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

380437-35-4 / 2-tert-butyl-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

Standard CAS: 380437-35-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
380437-35-4
Multi CAS
Yes
Molecular Formula
C25H24CLNO2
Molecular Weight
405.900000
Exact Mass
405.149557
InChI
InChI=1S/C25H24ClNO2/c1-25(2,3)17-13-16(12-15-8-10-18(26)11-9-15)23-20(14-17)22(24(28)29)19-6-4-5-7-21(19)27-23/h4-12,17H,13-14H2,1-3H3,(H,28,29)
InChIKey
UGFOTXAVNSQNBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.28
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
119.29
TPSA
50.19

LogP / Solubility

WLOGP
6.74
MLOGP
5.95
XLogP3
6.6
Consensus LogP
6.43
Log S (ESOL)
-6.88
Class (ESOL)
Insoluble
Log S (Ali)
-7.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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