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CAS 354815-91-1 8-METHYL-3A,4,5,9B-TETRAHYDRO-3 H-CYCLOPENTA[ C ]QUINOLINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 354815-91-1

8-METHYL-3A,4,5,9B-TETRAHYDRO-3 H-CYCLOPENTA[ C ]QUINOLINE-4-CARBOXYLIC ACID

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250502 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS354815-91-1
  • Purity/Analytical Methods: >99.0%
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354815-91-1 / 8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

Standard CAS: 354815-91-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
354815-91-1
Multi CAS
No
Molecular Formula
C14H15NO2
Molecular Weight
229.270000
Exact Mass
229.110279
InChI
InChI=1S/C14H15NO2/c1-8-5-6-12-11(7-8)9-3-2-4-10(9)13(15-12)14(16)17/h2-3,5-7,9-10,13,15H,4H2,1H3,(H,16,17)
InChIKey
QYUJXIHOGIEIGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.21
TPSA
49.33

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.8
Consensus LogP
2.52
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-2.32

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
No
Synthetic Accessibility
3

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