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CAS 380828-77-3 4-(4-CHLORO-PHENOXY)-CYCLOHEXYLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 380828-77-3

4-(4-CHLORO-PHENOXY)-CYCLOHEXYLAMINE HYDROCHLORIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260204 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS380828-77-3
  • Purity/Analytical Methods: >99.0%
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380828-77-3 / 4-(3-chlorophenoxy)cyclohexan-1-amine

Standard CAS: 380828-77-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
380828-77-3
Multi CAS
Yes
Molecular Formula
C12H16CLNO
Molecular Weight
225.710000
Exact Mass
225.092042
InChI
InChI=1S/C12H16ClNO.ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h1-2,5-6,10,12H,3-4,7-8,14H2;1H
InChIKey
UCHKIOSHQXHFTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.31
TPSA
35.25

LogP / Solubility

WLOGP
2.99
MLOGP
2.63
XLogP3
2.9
Consensus LogP
2.84
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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