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CAS 1507372-81-7 1-(2,6-dichlorophenyl)piperazineHCl molecular structure lightbox
CAS RN: 1507372-81-7

1-(2,6-dichlorophenyl)piperazineHCl

  • Product code: SSC-060665
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1507372-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1507372-81-7 / 1-(2,6-dichlorophenyl)piperazine;hydrochloride

Standard CAS: 1507372-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1507372-81-7
Multi CAS
No
Molecular Formula
C10H13Cl3N2
Molecular Weight
267.600000
Exact Mass
266.014432
SMILES
C1CN(CCN1)C2=C(C=CC=C2Cl)Cl.Cl
InChI
InChI=1S/C10H12Cl2N2.ClH/c11-8-2-1-3-9(12)10(8)14-6-4-13-5-7-14;/h1-3,13H,4-7H2;1H
InChIKey
RBIIKLGDGBHBQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.79
TPSA
15.27

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
2.82
Consensus LogP
2.71
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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