CAS RN: 162760-96-5

CYCLOHEXANECARBOXAMIDE, N-[2-[4-(2-METHOXYPHENYL)-1-PIPERAZINYL]ETHYL]-N-2-PYRIDINYL-, HYDROCHLORIDE (1:3)

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7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250528 5mg / 25mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
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Batchno.20260201 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251217 10mg In stock Shanghai Inquiry
Batchno.20260316 250mg Out of stock Inquiry
Batchno.20251104 25mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260404 50mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250228 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: starshine_CAS162760-96-5
  • Purity/Analytical Methods: >99.0%
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162760-96-5 / N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide

Standard CAS: 162760-96-5 Multi CAS: No

Basic Information

CAS
162760-96-5
Multi CAS
No
Molecular Formula
C25H34N4O2
Molecular Weight
422.600000
Exact Mass
422.268176
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4
InChI
InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
InChIKey
SBPRIAGPYFYCRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
124.81
TPSA
48.91

LogP / Solubility

WLOGP
3.83
MLOGP
3.39
XLogP3
4.2
Consensus LogP
3.81
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

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

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