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CAS 3445-00-9 4-(3-chloropropyl)piperazine-1-ethanol dihydrochloride molecular structure lightbox
CAS RN: 3445-00-9

4-(3-chloropropyl)piperazine-1-ethanol dihydrochloride

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 1g Out of stock Inquiry
Batchno.20250125 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250730 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251006 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS3445-00-9
  • Purity/Analytical Methods: >99.0%
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3445-00-9 / 2-[4-(3-chloropropyl)piperazin-1-yl]ethanol;dihydrochloride

Standard CAS: 3445-00-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3445-00-9
Multi CAS
Yes
Molecular Formula
C9H21CL3N2O
Molecular Weight
279.600000
Exact Mass
278.071946
InChI
InChI=1S/C9H19ClN2O.2ClH/c10-2-1-3-11-4-6-12(7-5-11)8-9-13;;/h13H,1-9H2;2*1H
InChIKey
GFJQEKFGLWJWDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.8
TPSA
26.71

LogP / Solubility

WLOGP
1.07
MLOGP
0.95
XLogP3
1.07
Consensus LogP
1.03
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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