![CAS 927689-68-7 (4R,5R)-[5-(4-IODOPHENYL)-2-PHENYL-4,5-DIHYDRO-OXAZOL-4-YL]METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/927689-68-7.gif)
CAS RN: 927689-68-7
(4R,5R)-[5-(4-IODOPHENYL)-2-PHENYL-4,5-DIHYDRO-OXAZOL-4-YL]METHANOL
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.20250528 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS927689-68-7
- Purity/Analytical Methods: >99.0%
927689-68-7 / [(4R,5R)-5-(4-iodophenyl)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
Basic Information
CAS
927689-68-7
Multi CAS
Yes
Molecular Formula
C16H14InO2
Molecular Weight
379.190000
Exact Mass
379.006930
InChI
InChI=1S/C16H14INO2/c17-13-8-6-11(7-9-13)15-14(10-19)18-16(20-15)12-4-2-1-3-5-12/h1-9,14-15,19H,10H2/t14-,15-/m1/s1
InChIKey
ZCFMVNLKICQFTI-HUUCEWRRSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.84
TPSA
41.82
LogP / Solubility
WLOGP
3.17
MLOGP
2.81
XLogP3
3
Consensus LogP
2.99
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 927706-57-8 DICHLORO-[1,3-BIS(DIISOPROPYLPHENYL)-2-IMIDAZOLIDINYLIDENE]-(3-CHLOROPYRIDYL)PALLADIUM(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/927706-57-8.gif)
