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CAS 142128-57-2 Oliceridine molecular structure lightbox
CAS RN: 142128-57-2

Oliceridine

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Batchno.20250103 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS142128-57-2
  • Purity/Analytical Methods: >99.0%
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142128-57-2 / 1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

Standard CAS: 142128-57-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
142128-57-2
Multi CAS
No
Molecular Formula
C26H28Cl2N4O4
Molecular Weight
531.400000
Exact Mass
530.148761
SMILES
CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
InChIKey
XMAYWYJOQHXEEK-ZEQKJWHPSA-N

Physical Properties

Melting Point
146 °C 148-152 °C
Physical Description
Solid COLOURLESS CRYSTALS OR POWDER.
Appearance
Crystals from 4-methylpentanone
State
Solid
Storage Conditions
Provision to contain effluent from fire extinguishing. Well closed. Separated from food and feedstuffs. Store in an area without drain or sewer access. Store at controlled room temperature 15 deg - 25 °C (59 deg - 77 °F). Protect from moisture. Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: 2 - 8 °C.

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
17
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
7
Molar refractivity
137.6
TPSA
69.06

LogP / Solubility

WLOGP
4.21
MLOGP
3.74
XLogP3
4.3
Consensus LogP
4.08
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301: Toxic if swallowed [Danger Acute toxicity, oral] H360F ***: May damage fertility [Danger Reproductive toxicity] H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P264, P270, P273, P280, P301+P316, P318, P319, P321, P330, P391, P405, and P501
Hazard Class/Division
6.1
Packing Group
III

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