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CAS 67824-38-8 (S)-2-(chloromethyl)-1-methylpyrrolidinium chloride molecular structure lightbox
CAS RN: 67824-38-8

(S)-2-(chloromethyl)-1-methylpyrrolidinium chloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251212 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS67824-38-8
  • Purity/Analytical Methods: >99.0%
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67824-38-8 / 2-(chloromethyl)-1-methylpyrrolidine;hydrochloride

Standard CAS: 67824-38-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67824-38-8
Multi CAS
Yes
Molecular Formula
C6H13CL2N
Molecular Weight
170.080000
Exact Mass
169.042505
InChI
InChI=1S/C6H12ClN.ClH/c1-8-4-2-3-6(8)5-7;/h6H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKey
JMYYNTRVGBDWDB-RGMNGODLSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.62
TPSA
3.24

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.74
Consensus LogP
1.67
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.52

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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