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CAS 61432-71-1 (R)-3-Methyl-6α-[(1S)-1,5-dimethyl-4-hexenyl]-2-cyclohexene-1-one molecular structure lightbox
CAS RN: 61432-71-1

(R)-3-Methyl-6α-[(1S)-1,5-dimethyl-4-hexenyl]-2-cyclohexene-1-one

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Batch No.PackageAvailabilityInquiry
Batchno.20260613 5mg Out of stock Inquiry
  • Product code: starshine_CAS61432-71-1
  • Purity/Analytical Methods: >99.0%
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61432-71-1 / (6R)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one

Standard CAS: 61432-71-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61432-71-1
Multi CAS
Yes
Molecular Formula
C15H24O
Molecular Weight
220.350000
Exact Mass
220.182715
InChI
InChI=1S/C15H24O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14+/m0/s1
InChIKey
KNOUERLLBMJGLF-UONOGXRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
69.32
TPSA
17.07

LogP / Solubility

WLOGP
4.29
MLOGP
3.78
XLogP3
4.1
Consensus LogP
4.06
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.02

Drug-likeness / Medicinal Chemistry

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

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