![CAS 1562372-39-7 Pyridine, 2,6-bis[(4S)-4-cyclohexyl-4,5-dihydro-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1562372-39-7.gif)
CAS RN: 1562372-39-7
Pyridine, 2,6-bis[(4S)-4-cyclohexyl-4,5-dihydro-2-oxazolyl]-
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.20250524 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1562372-39-7
- Purity/Analytical Methods: >99.0%
1562372-39-7 / (4S)-4-cyclohexyl-2-[6-[(4S)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1562372-39-7
Multi CAS
No
Molecular Formula
C23H31N3O2
Molecular Weight
381.500000
Exact Mass
381.241627
SMILES
C1CCC(CC1)[C@H]2COC(=N2)C3=NC(=CC=C3)C4=N[C@H](CO4)C5CCCCC5
InChI
InChI=1S/C23H31N3O2/c1-3-8-16(9-4-1)20-14-27-22(25-20)18-12-7-13-19(24-18)23-26-21(15-28-23)17-10-5-2-6-11-17/h7,12-13,16-17,20-21H,1-6,8-11,14-15H2/t20-,21-/m1/s1
InChIKey
JSHMEAUZFKZRAH-NHCUHLMSSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
109.94
TPSA
56.07
LogP / Solubility
WLOGP
4.53
MLOGP
4.01
XLogP3
5.4
Consensus LogP
4.65
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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