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CAS 395060-15-8 (R)-3-((1-phenylethyl)amino)cyclohex-2-enone molecular structure lightbox
CAS RN: 395060-15-8

(R)-3-((1-phenylethyl)amino)cyclohex-2-enone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251112 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS395060-15-8
  • Purity/Analytical Methods: >99.0%
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395060-15-8 / 3-[[(1R)-1-phenylethyl]amino]cyclohex-2-en-1-one

Standard CAS: 395060-15-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
395060-15-8
Multi CAS
Yes
Molecular Formula
C14H17NO
Molecular Weight
215.290000
Exact Mass
215.131014
InChI
InChI=1S/C14H17NO/c1-11(12-6-3-2-4-7-12)15-13-8-5-9-14(16)10-13/h2-4,6-7,10-11,15H,5,8-9H2,1H3/t11-/m1/s1
InChIKey
RGJGABZQVMETQT-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.93
TPSA
29.1

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
2.5
Consensus LogP
2.7
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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