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CAS 106083-71-0 (+)-(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol molecular structure lightbox
CAS RN: 106083-71-0

(+)-(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260211 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS106083-71-0
  • Purity/Analytical Methods: >99.0%
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106083-71-0 / (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride

Radafaxine hydrochloride | Radafaxine HCl | Radafaxine Hydrochloride [USAN]

Standard CAS: 106083-71-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106083-71-0
Multi CAS
Yes
Molecular Formula
C13H19Cl2NO2
Molecular Weight
292.200000
Exact Mass
291.079284
SMILES
C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O.Cl
InChI
InChI=1S/C13H18ClNO2.ClH/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10;/h4-7,9,15-16H,8H2,1-3H3;1H/t9-,13+;/m0./s1
InChIKey
ORXTVTDGPVINDN-BTJVGWIPSA-N
Synonyms
Radafaxine hydrochloride Radafaxine HCl Radafaxine Hydrochloride [USAN] UNII-SYD411HZ3S SYD411HZ3S

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.23
TPSA
41.49

LogP / Solubility

WLOGP
2.69
MLOGP
2.38
XLogP3
2.69
Consensus LogP
2.59
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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