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CAS 130018-87-0 Levocetirizine Dihydrochloride molecular structure lightbox
CAS RN: 130018-87-0

Levocetirizine Dihydrochloride

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251231 100g In stock Shanghai Inquiry
Batchno.20250729 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20260426 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250105 25mg In stock Shanghai, Wuhan Inquiry
Batchno.20260619 5g In stock Shanghai Inquiry
Batchno.20250116 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-036763
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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: 25g
  • Available purity: ≥98%
  • 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 130018-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

130018-87-0 / 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride

Standard CAS: 130018-87-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
130018-87-0
Multi CAS
No
Molecular Formula
C21H27Cl3N2O3
Molecular Weight
461.800000
Exact Mass
460.108726
SMILES
C1CN(CCN1CCOCC(=O)O)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
InChI
InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H/t21-;;/m1../s1
InChIKey
PGLIUCLTXOYQMV-GHVWMZMZSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
120.7
TPSA
53.01

LogP / Solubility

WLOGP
3.99
MLOGP
3.54
XLogP3
3.99
Consensus LogP
3.84
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral] H400 (88.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

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