CAS RN: 1180843-72-4
Asenapine-d3
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.20250217 | 50μg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1180843-72-4
- Purity/Analytical Methods: >99.0%
1180843-72-4 / (2R,6R)-9-chloro-4-(trideuteriomethyl)-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
Asenapine-d3 | (2R,6R)-9-chloro-4-(trideuteriomethyl)-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene | SCHEMBL13752340
Basic Information
CAS
1180843-72-4
Multi CAS
Yes
Molecular Formula
C17H16ClNO
Molecular Weight
288.800000
Exact Mass
288.110872
SMILES
[2H]C([2H])([2H])N1C[C@@H]2[C@@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
InChI
InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1/i1D3
InChIKey
VSWBSWWIRNCQIJ-IBZLBPKTSA-N
Synonyms
Asenapine-d3
(2R,6R)-9-chloro-4-(trideuteriomethyl)-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
SCHEMBL13752340
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
H-bond acceptors
2
Molar refractivity
80.95
TPSA
12.47
LogP / Solubility
WLOGP
4.26
MLOGP
3.76
XLogP3
3.8
Consensus LogP
3.94
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
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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