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CAS 65576-45-6 Asenapine molecular structure lightbox
CAS RN: 65576-45-6

Asenapine

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251113 100mg In stock Shanghai Inquiry
Batchno.20250420 250mg Out of stock Inquiry
Batchno.20260304 25mg In stock Shanghai Inquiry
Batchno.20251027 50mg In stock Shanghai Inquiry
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Batchno.20260516 100mg In stock Inquiry
Batchno.20250418 1g In stock Inquiry
Batchno.20251109 25mg In stock Inquiry
  • Product code: starshine_CAS65576-45-6
  • Purity/Analytical Methods: >99.0%
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65576-45-6 / (2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene

Standard CAS: 65576-45-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
65576-45-6
Multi CAS
Yes
Molecular Formula
C17H16CLNO
Molecular Weight
285.800000
Exact Mass
285.092042
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-/m1/s1
InChIKey
VSWBSWWIRNCQIJ-HUUCEWRRSA-N

Physical Properties

Appearance
White to off-white powder
State
Solid

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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