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CAS 86283-81-0 1H-Indeno[5,4-f]quinoline-7-carboxylic acid, hexadecahydro-1,4a,6a-triMethyl-2-oxo-, Methyl ester, (4aR,4bS,6aS,7S,9aS,9bS,11aR)- molecular structure lightbox
CAS RN: 86283-81-0

1H-Indeno[5,4-f]quinoline-7-carboxylic acid, hexadecahydro-1,4a,6a-triMethyl-2-oxo-, Methyl ester, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260404 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS86283-81-0
  • Purity/Analytical Methods: >99.0%
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86283-81-0 / methyl 6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxylate

Standard CAS: 86283-81-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86283-81-0
Multi CAS
Yes
Molecular Formula
C21H33NO3
Molecular Weight
347.500000
Exact Mass
347.246044
InChI
InChI=1S/C21H33NO3/c1-20-11-9-15-13(14(20)6-7-16(20)19(24)25-4)5-8-17-21(15,2)12-10-18(23)22(17)3/h13-17H,5-12H2,1-4H3/t13-,14-,15-,16+,17+,20-,21+/m0/s1
InChIKey
IVJOAORQVUYFDW-ICVGDBTHSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
95.68
TPSA
46.61

LogP / Solubility

WLOGP
3.64
MLOGP
3.22
XLogP3
3.8
Consensus LogP
3.55
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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