CAS RN: 2634687-62-8
(S)-4-Isopropyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydrooxazole
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260417 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2634687-62-8
- Purity/Analytical Methods: >99.0%
2634687-62-8 / (4S)-2-(1,8-naphthyridin-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2634687-62-8
Multi CAS
No
Molecular Formula
C14H15N3O
Molecular Weight
241.290000
Exact Mass
241.121512
SMILES
CC(C)[C@H]1COC(=N1)C2=NC3=C(C=CC=N3)C=C2
InChI
InChI=1S/C14H15N3O/c1-9(2)12-8-18-14(17-12)11-6-5-10-4-3-7-15-13(10)16-11/h3-7,9,12H,8H2,1-2H3/t12-/m1/s1
InChIKey
MXGVSUNPVBKRCD-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
70.65
TPSA
47.37
LogP / Solubility
WLOGP
2.43
MLOGP
2.14
XLogP3
2.7
Consensus LogP
2.42
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
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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