CAS RN: 2634687-58-2
(S)-4-Cyclohexyl-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole
Product Availability
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4 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250611 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251126 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250915 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260408 | 250mg | In stock | Shenzhen, Chengdu | Inquiry |
- Product code: starshine_CAS2634687-58-2
- Purity/Analytical Methods: >99.0%
2634687-58-2 / [2-[(4S)-4-cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
Basic Information
CAS
2634687-58-2
Multi CAS
No
Molecular Formula
C27H28NOP
Molecular Weight
413.500000
Exact Mass
413.190852
SMILES
C1CCC(CC1)[C@H]2COC(=N2)C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H28NOP/c1-4-12-21(13-5-1)25-20-29-27(28-25)24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2-3,6-11,14-19,21,25H,1,4-5,12-13,20H2/t25-/m1/s1
InChIKey
MNMYEHCIHFXGHU-RUZDIDTESA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
128
TPSA
21.59
LogP / Solubility
WLOGP
5.17
MLOGP
4.58
XLogP3
6.5
Consensus LogP
5.42
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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