CAS RN: 1092472-65-5
Eliglustat Impurity 1（Eliglustat RS-Isomer）
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250822 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1092472-65-5
- Purity/Analytical Methods: >99.0%
1092472-65-5 / N-[(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide
Eliglustat (SR) Diastereomer | CHEMBL1911679 | Eliglustat Impurity
Basic Information
CAS
1092472-65-5
Multi CAS
No
Molecular Formula
C23H36N2O4
Molecular Weight
404.500000
Exact Mass
404.267508
SMILES
CCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O
InChI
InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23+/m0/s1
InChIKey
FJZZPCZKBUKGGU-WMZHIEFXSA-N
Synonyms
Eliglustat (SR) Diastereomer
CHEMBL1911679
Eliglustat Impurity
B7LMG26P79
SCHEMBL4057024
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
2
Molar refractivity
113.37
TPSA
71.03
LogP / Solubility
WLOGP
3.43
MLOGP
3.04
XLogP3
3.7
Consensus LogP
3.39
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.46
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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