CAS RN: 2634687-74-2
(R)-4-Benzyl-2-(2-chloro-6-(diphenylphosphino)phenyl)-4,5-dihydrooxazole
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250818 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2634687-74-2
- Purity/Analytical Methods: >99.0%
2634687-74-2 / [2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3-chlorophenyl]-diphenylphosphane
Basic Information
CAS
2634687-74-2
Multi CAS
No
Molecular Formula
C28H23ClNOP
Molecular Weight
455.900000
Exact Mass
455.120579
SMILES
C1[C@H](N=C(O1)C2=C(C=CC=C2Cl)P(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C28H23ClNOP/c29-25-17-10-18-26(32(23-13-6-2-7-14-23)24-15-8-3-9-16-24)27(25)28-30-22(20-31-28)19-21-11-4-1-5-12-21/h1-18,22H,19-20H2/t22-/m1/s1
InChIKey
YKKZTRJLFJYJDL-JOCHJYFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
136.58
TPSA
21.59
LogP / Solubility
WLOGP
5.49
MLOGP
4.86
XLogP3
6.8
Consensus LogP
5.72
Log S (ESOL)
-6.28
Class (ESOL)
Insoluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.9
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)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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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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![CAS 2634687-81-1 Oxazole, 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4-(phenylmethyl)-, (4R,4’R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2634687-81-1.gif)
