![CAS 2634687-71-9 Pyrimidine, 2-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2634687-71-9.gif)
CAS RN: 2634687-71-9
Pyrimidine, 2-[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2634687-71-9
- Purity/Analytical Methods: >99.0%
2634687-71-9 / 4-phenyl-2-pyrimidin-2-yl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2634687-71-9
Multi CAS
No
Molecular Formula
C13H11N3O
Molecular Weight
225.250000
Exact Mass
225.090212
SMILES
C1C(N=C(O1)C2=NC=CC=N2)C3=CC=CC=C3
InChI
InChI=1S/C13H11N3O/c1-2-5-10(6-3-1)11-9-17-13(16-11)12-14-7-4-8-15-12/h1-8,11H,9H2
InChIKey
DFVNFIDPLVNGNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
63.7
TPSA
47.37
LogP / Solubility
WLOGP
1.99
MLOGP
1.76
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.68
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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![CAS 2634687-78-6 Oxazole, 2,2′-[2-phenyl-1-(phenylmethyl)ethylidene]bis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4R,4’S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2634687-78-6.gif)
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