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CAS 3724-43-4 (Chloromethylene)dimethyliminium Chloride molecular structure lightbox
CAS RN: 3724-43-4

(Chloromethylene)dimethyliminium Chloride

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251224 100g Out of stock Inquiry
Batchno.20260410 1g In stock Inquiry
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Batchno.20250811 5g In stock Inquiry
  • Product code: ICTC1545
  • Purity/Analytical Methods: >95.0%(T)
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3724-43-4 / chloromethylidene(dimethyl)azanium chloride

Standard CAS: 3724-43-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3724-43-4
Multi CAS
Yes
Molecular Formula
C3H7CL2N
Molecular Weight
128.000000
Exact Mass
126.995555
InChI
InChI=1S/C3H7ClN.ClH/c1-5(2)3-4;/h3H,1-2H3;1H/q+1;/p-1
InChIKey
QQVDYSUDFZZPSU-UHFFFAOYSA-M

Physical Properties

Physical Description
Other Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.67
H-bond acceptors
1
Molar refractivity
24.03
TPSA
3.01

LogP / Solubility

WLOGP
-2.47
MLOGP
-2.18
XLogP3
-2.47
Consensus LogP
-2.37
Log S (ESOL)
0.92
Class (ESOL)
Highly soluble
Log S (Ali)
1.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.56
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.25

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
1.5

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