CAS RN: 2070015-04-0
Cetirizine-d8 (hydrochloride)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260428 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2070015-04-0
- Purity/Analytical Methods: >99.0%
2070015-04-0 / 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethoxy]acetic acid;dihydrochloride
Basic Information
CAS
2070015-04-0
Multi CAS
No
Molecular Formula
C21H27Cl3N2O3
Molecular Weight
469.900000
Exact Mass
468.158940
SMILES
[2H]C1(C(N(C(C(N1CCOCC(=O)O)([2H])[2H])([2H])[2H])C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)([2H])[2H])[2H].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/i10D2,11D2,12D2,13D2;;
InChIKey
PGLIUCLTXOYQMV-FLZNRFFQSA-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
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![CAS 2070015-25-5 N1,N2-Dimethyl-N1-[[3-[4-[[trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl]oxy]phenyl]-1H-pyrazol-4-yl]methyl]-1,2-ethanediamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2070015-25-5.png)
