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CAS 120693-52-9 4(1H)-Quinolinone, 1-methyl-2-(6Z,9Z)-6,9-pentadecadien-1-yl- molecular structure lightbox
CAS RN: 120693-52-9

4(1H)-Quinolinone, 1-methyl-2-(6Z,9Z)-6,9-pentadecadien-1-yl-

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250521 10mg Out of stock 8-10 business days Inquiry
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Batchno.20250405 10mg In stock Shanghai Inquiry
Batchno.20250613 1mg In stock Shanghai Inquiry
Batchno.20260124 25mg In stock Shanghai Inquiry
Batchno.20250317 50mg In stock Shanghai Inquiry
Batchno.20251128 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS120693-52-9
  • Purity/Analytical Methods: >99.0%
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120693-52-9 / 1-methyl-2-pentadeca-6,9-dienylquinolin-4-one

1-Methyl-2-[(6Z,9Z)-6,9-pentadecadienyl]-4(1H)-quinolone | 1-Methyl-2-((6Z,9Z)-pentadeca-6,9-dien-1-yl)quinolin-4(1H)-one | 1-Methyl-2-[(6Z,9Z)-6,9-pentadecadiene]-4(1H)-quinolone

Standard CAS: 120693-52-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120693-52-9
Multi CAS
Yes
Molecular Formula
C25H35NO
Molecular Weight
365.600000
Exact Mass
365.271865
SMILES
CCCCCC=CCC=CCCCCCC1=CC(=O)C2=CC=CC=C2N1C
InChI
InChI=1S/C25H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21-25(27)23-19-16-17-20-24(23)26(22)2/h7-8,10-11,16-17,19-21H,3-6,9,12-15,18H2,1-2H3/b8-7-,11-10-
InChIKey
ZVODRCBOPULJKJ-NQLNTKRDSA-N
Synonyms
1-Methyl-2-[(6Z,9Z)-6,9-pentadecadienyl]-4(1H)-quinolone 1-Methyl-2-((6Z,9Z)-pentadeca-6,9-dien-1-yl)quinolin-4(1H)-one 1-Methyl-2-[(6Z,9Z)-6,9-pentadecadiene]-4(1H)-quinolone 1-methyl-2-[(6Z,9Z)-pentadeca-6,9-dienyl]quinolin-4-one orb1984858

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.48
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
118.4
TPSA
22

LogP / Solubility

WLOGP
6.72
MLOGP
5.94
XLogP3
7.7
Consensus LogP
6.79
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.06
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)
-0.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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