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CAS 109806-71-5 4-[(4-CHLOROPHENYL)PHENYLMETHYL]-1-PIPERAZINEETHANOL DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 109806-71-5

4-[(4-CHLOROPHENYL)PHENYLMETHYL]-1-PIPERAZINEETHANOL DIHYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260316 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-011121
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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: 5g
  • 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 109806-71-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

109806-71-5 / 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol

4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol | PGV947X9B1 | 2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol

Standard CAS: 109806-71-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
109806-71-5
Multi CAS
Yes
Molecular Formula
C19H23ClN2O
Molecular Weight
330.800000
Exact Mass
330.149891
SMILES
C1CN(CCN1CCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)22-12-10-21(11-13-22)14-15-23/h1-9,19,23H,10-15H2
InChIKey
ZJQSBXXYLQGZBR-UHFFFAOYSA-N
Synonyms
4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol PGV947X9B1 2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol 1-Piperazineethanol, 4-((4-chlorophenyl)phenylmethyl)- UCB-P026

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
94.84
TPSA
26.71

LogP / Solubility

WLOGP
3.04
MLOGP
2.69
XLogP3
3.8
Consensus LogP
3.18
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501

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