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CAS 1427326-08-6 RCS-8 3-methoxy isomer molecular structure lightbox
CAS RN: 1427326-08-6

RCS-8 3-methoxy isomer

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Batchno.20250506 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1427326-08-6
  • Purity/Analytical Methods: >99.0%
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1427326-08-6 / 1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(3-methoxyphenyl)ethanone

Standard CAS: 1427326-08-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427326-08-6
Multi CAS
No
Molecular Formula
C25H29NO2
Molecular Weight
375.500000
Exact Mass
375.219829
SMILES
COC1=CC=CC(=C1)CC(=O)C2=CN(C3=CC=CC=C32)CCC4CCCCC4
InChI
InChI=1S/C25H29NO2/c1-28-21-11-7-10-20(16-21)17-25(27)23-18-26(24-13-6-5-12-22(23)24)15-14-19-8-3-2-4-9-19/h5-7,10-13,16,18-19H,2-4,8-9,14-15,17H2,1H3
InChIKey
RPDBGECJZVHHKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
114.16
TPSA
31.23

LogP / Solubility

WLOGP
6.05
MLOGP
5.34
XLogP3
6.3
Consensus LogP
5.9
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
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)
-0.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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