CAS RN: 1246820-19-8
Loxapine-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.20250705 | 1mg / 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1246820-19-8
- Purity/Analytical Methods: >99.0%
1246820-19-8 / 8-chloro-6-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine;hydrochloride
Basic Information
CAS
1246820-19-8
Multi CAS
No
Molecular Formula
C18H19Cl2N3O
Molecular Weight
372.300000
Exact Mass
371.140732
SMILES
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl)([2H])[2H])[2H].Cl
InChI
InChI=1S/C18H18ClN3O.ClH/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;/h2-7,12H,8-11H2,1H3;1H/i8D2,9D2,10D2,11D2;
InChIKey
JSXBVMKACNEMKY-KTSBLNPMSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
100.48
TPSA
28.07
LogP / Solubility
WLOGP
4.19
MLOGP
3.71
XLogP3
4.19
Consensus LogP
4.03
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
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)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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