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CAS 1220033-10-2 3-((2,4-Dichlorobenzyl)oxy)pyrrolidine hydrochloride molecular structure lightbox
CAS RN: 1220033-10-2

3-((2,4-Dichlorobenzyl)oxy)pyrrolidine hydrochloride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250706 100mg In stock Shanghai Inquiry
Batchno.20251224 1g In stock Shanghai Inquiry
Batchno.20250118 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1220033-10-2
  • Purity/Analytical Methods: >99.0%
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1220033-10-2 / 3-[(4-chlorophenyl)methoxy]piperidine;hydrochloride

Standard CAS: 1220033-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1220033-10-2
Multi CAS
No
Molecular Formula
C12H17Cl2NO
Molecular Weight
262.170000
Exact Mass
261.068720
SMILES
C1CC(CNC1)OCC2=CC=C(C=C2)Cl.Cl
InChI
InChI=1S/C12H16ClNO.ClH/c13-11-5-3-10(4-6-11)9-15-12-2-1-7-14-8-12;/h3-6,12,14H,1-2,7-9H2;1H
InChIKey
IUFOIZLIFLQLBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.38
TPSA
21.26

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
3.03
Consensus LogP
2.91
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

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

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