![CAS 1772625-41-8 1,8-Naphthyridine, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1772625-41-8.gif)
CAS RN: 1772625-41-8
1,8-Naphthyridine, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260424 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1772625-41-8
- Purity/Analytical Methods: >99.0%
1772625-41-8 / (4S)-4-benzyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1772625-41-8
Multi CAS
No
Molecular Formula
C18H15N3O
Molecular Weight
289.300000
Exact Mass
289.121512
SMILES
C1[C@@H](N=C(O1)C2=NC3=C(C=CC=N3)C=C2)CC4=CC=CC=C4
InChI
InChI=1S/C18H15N3O/c1-2-5-13(6-3-1)11-15-12-22-18(20-15)16-9-8-14-7-4-10-19-17(14)21-16/h1-10,15H,11-12H2/t15-/m0/s1
InChIKey
FHCPPTWLAGSJCG-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
85.96
TPSA
47.37
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
3.3
Consensus LogP
3
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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