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CAS 119431-25-3 Eliprodil molecular structure lightbox
CAS RN: 119431-25-3

Eliprodil

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 10mg / 50mg Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS119431-25-3
  • Purity/Analytical Methods: >99.0%
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119431-25-3 / 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol

Eliprodil | DTXSID1045744 | SL-820715

Standard CAS: 119431-25-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119431-25-3
Multi CAS
Yes
Molecular Formula
C20H23ClFNO
Molecular Weight
347.900000
Exact Mass
347.145220
SMILES
C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
InChIKey
GGUSQTSTQSHJAH-UHFFFAOYSA-N
Synonyms
Eliprodil DTXSID1045744 SL-820715 YW62A6TW29 DTXCID9025744

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
95.68
TPSA
23.47

LogP / Solubility

WLOGP
4.47
MLOGP
3.95
XLogP3
4.5
Consensus LogP
4.31
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
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
No
Log Kp (skin permeation)
-1.67

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 Environmental Hazard
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501

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