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CAS 132810-10-7 Blonanserin molecular structure lightbox
CAS RN: 132810-10-7

Blonanserin

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250224 25mg / 100mg / 500mg Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: ICTB4565
  • Purity/Analytical Methods: >98.0%(HPLC)
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132810-10-7 / 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

Standard CAS: 132810-10-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
132810-10-7
Multi CAS
No
Molecular Formula
C23H30FN3
Molecular Weight
367.500000
Exact Mass
367.242376
SMILES
CCN1CCN(CC1)C2=NC3=C(CCCCCC3)C(=C2)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3
InChIKey
XVGOZDAJGBALKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
109.83
TPSA
19.37

LogP / Solubility

WLOGP
4.69
MLOGP
4.15
XLogP3
5.5
Consensus LogP
4.78
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.3
Class (SILICOS-IT)
Insoluble

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)
-1.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H413 (97.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, and P501

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