CAS RN: 1246815-57-5
Perazine-d8
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.20260211 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1246815-57-5
- Purity/Analytical Methods: >99.0%
1246815-57-5 / 10-[3-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)propyl]phenothiazine
Basic Information
CAS
1246815-57-5
Multi CAS
No
Molecular Formula
C20H25N3S
Molecular Weight
347.500000
Exact Mass
347.227133
SMILES
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CCCN2C3=CC=CC=C3SC4=CC=CC=C42)([2H])[2H])[2H]
InChI
InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3/i13D2,14D2,15D2,16D2
InChIKey
WEYVCQFUGFRXOM-DBVREXLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
102.57
TPSA
9.72
LogP / Solubility
WLOGP
3.93
MLOGP
3.47
XLogP3
4.1
Consensus LogP
3.83
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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