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CAS 58878-37-8 2-(2-Chloroethyl)-1-methylpiperidine hydrochloride molecular structure lightbox
CAS RN: 58878-37-8

2-(2-Chloroethyl)-1-methylpiperidine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251128 10g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS58878-37-8
  • Purity/Analytical Methods: >99.0%
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58878-37-8 / 2-(2-chloroethyl)-1-methylpiperidine;hydrochloride

Standard CAS: 58878-37-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58878-37-8
Multi CAS
Yes
Molecular Formula
C8H17CL2N
Molecular Weight
198.130000
Exact Mass
197.073805
InChI
InChI=1S/C8H16ClN.ClH/c1-10-7-3-2-4-8(10)5-6-9;/h8H,2-7H2,1H3;1H
InChIKey
WVBKLELBSWJXAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.85
TPSA
3.24

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.52
Consensus LogP
2.42
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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