CAS RN: 204395-52-8
CLOZAPINE (D4)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260212 | 50μg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS204395-52-8
- Purity/Analytical Methods: >99.0%
204395-52-8 / 3-chloro-6-(2,2,6,6-tetradeuterio-4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
Basic Information
CAS
204395-52-8
Multi CAS
No
Molecular Formula
C18H19ClN4
Molecular Weight
330.800000
Exact Mass
330.154931
SMILES
[2H]C1(CN(CC(N1C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)([2H])[2H])C)[2H]
InChI
InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3/i10D2,11D2
InChIKey
QZUDBNBUXVUHMW-MKQHWYKPSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
96.44
TPSA
30.87
LogP / Solubility
WLOGP
3.72
MLOGP
3.29
XLogP3
3.1
Consensus LogP
3.37
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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
No
Log Kp (skin permeation)
-2.07
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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