![CAS 486439-08-1 ETHYL 4-[2-(3-CHLOROPHENYL)-2-HYDROXYETHYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5830309.gif)
CAS RN: 486439-08-1
ETHYL 4-[2-(3-CHLOROPHENYL)-2-HYDROXYETHYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251228 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS486439-08-1
- Purity/Analytical Methods: >99.0%
486439-08-1 / ethyl 4-[2-(3-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
Basic Information
CAS
486439-08-1
Multi CAS
No
Molecular Formula
C15H21CLN2O3
Molecular Weight
312.790000
Exact Mass
312.124070
InChI
InChI=1S/C15H21ClN2O3/c1-2-21-15(20)18-8-6-17(7-9-18)11-14(19)12-4-3-5-13(16)10-12/h3-5,10,14,19H,2,6-9,11H2,1H3
InChIKey
VFBWFDKKLOJBBS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
81.45
TPSA
53.01
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble
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
No
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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