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CAS 17186-53-7 H-PHE-CYCLOHEXYLAMIDE molecular structure lightbox
CAS RN: 17186-53-7

H-PHE-CYCLOHEXYLAMIDE

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251222 1g In stock Shanghai Inquiry
Batchno.20251014 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS17186-53-7
  • Purity/Analytical Methods: >99.0%
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17186-53-7 / (2S)-2-amino-N-cyclohexyl-3-phenylpropanamide

Standard CAS: 17186-53-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17186-53-7
Multi CAS
No
Molecular Formula
C15H22N2O
Molecular Weight
246.350000
Exact Mass
246.173213
SMILES
C1CCC(CC1)NC(=O)[C@H](CC2=CC=CC=C2)N
InChI
InChI=1S/C15H22N2O/c16-14(11-12-7-3-1-4-8-12)15(18)17-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11,16H2,(H,17,18)/t14-/m0/s1
InChIKey
ZMBVNXGMRQPTHV-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
73.14
TPSA
55.12

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
2.4
Consensus LogP
2.06
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.8

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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