![CAS 1658490-50-6 Pyridine, 2,6-bis[(4R)-4,5-dihydro-4-(2-methylpropyl)-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1658490-50-6.gif)
CAS RN: 1658490-50-6
Pyridine, 2,6-bis[(4R)-4,5-dihydro-4-(2-methylpropyl)-2-oxazolyl]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250618 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1658490-50-6
- Purity/Analytical Methods: >99.0%
1658490-50-6 / (4R)-4-(2-methylpropyl)-2-[6-[(4R)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1658490-50-6
Multi CAS
No
Molecular Formula
C19H27N3O2
Molecular Weight
329.400000
Exact Mass
329.210327
SMILES
CC(C)C[C@@H]1COC(=N1)C2=NC(=CC=C2)C3=N[C@@H](CO3)CC(C)C
InChI
InChI=1S/C19H27N3O2/c1-12(2)8-14-10-23-18(20-14)16-6-5-7-17(22-16)19-21-15(11-24-19)9-13(3)4/h5-7,12-15H,8-11H2,1-4H3/t14-,15-/m1/s1
InChIKey
JPPHLOFYYNORNO-HUUCEWRRSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
95.7
TPSA
56.07
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
4
Consensus LogP
3.51
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly 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)
-2.27
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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