CAS RN: 1632140-86-3
(S)-4-Benzyl-2-(pyrazin-2-yl)-4,5-dihydrooxazole
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.20251123 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1632140-86-3
- Purity/Analytical Methods: >99.0%
1632140-86-3 / (4S)-4-benzyl-2-pyrazin-2-yl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1632140-86-3
Multi CAS
No
Molecular Formula
C14H13N3O
Molecular Weight
239.270000
Exact Mass
239.105862
SMILES
C1[C@@H](N=C(O1)C2=NC=CN=C2)CC3=CC=CC=C3
InChI
InChI=1S/C14H13N3O/c1-2-4-11(5-3-1)8-12-10-18-14(17-12)13-9-15-6-7-16-13/h1-7,9,12H,8,10H2/t12-/m0/s1
InChIKey
MCOJZOIJIYNLAQ-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
68.46
TPSA
47.37
LogP / Solubility
WLOGP
1.86
MLOGP
1.65
XLogP3
1.6
Consensus LogP
1.7
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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