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CAS 1777817-32-9 (2R)-2-ethyl-1-methylpiperazine dihydrochloride molecular structure lightbox
CAS RN: 1777817-32-9

(2R)-2-ethyl-1-methylpiperazine dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260417 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1777817-32-9
  • Purity/Analytical Methods: >99.0%
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1777817-32-9 / (2R)-2-ethyl-1-methylpiperazine;dihydrochloride

Standard CAS: 1777817-32-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1777817-32-9
Multi CAS
No
Molecular Formula
C7H18Cl2N2
Molecular Weight
201.130000
Exact Mass
200.084704
SMILES
CC[C@@H]1CNCCN1C.Cl.Cl
InChI
InChI=1S/C7H16N2.2ClH/c1-3-7-6-8-4-5-9(7)2;;/h7-8H,3-6H2,1-2H3;2*1H/t7-;;/m1../s1
InChIKey
NFSYLRGPJQKESC-XCUBXKJBSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.07
TPSA
15.27

LogP / Solubility

WLOGP
1.14
MLOGP
1.01
XLogP3
1.14
Consensus LogP
1.1
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.14

Drug-likeness / Medicinal Chemistry

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

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