![CAS 2757082-52-1 Oxazole, 2-[2-chloro-6-(diphenylphosphino)phenyl]-4,5-dihydro-4-(1-methylethyl)-, (4R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-52-1.gif)
CAS RN: 2757082-52-1
Oxazole, 2-[2-chloro-6-(diphenylphosphino)phenyl]-4,5-dihydro-4-(1-methylethyl)-, (4R)-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-127219
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2757082-52-1 / [3-chloro-2-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
Basic Information
CAS
2757082-52-1
Multi CAS
Yes
Molecular Formula
C24H23CLNOP
Molecular Weight
407.900000
Exact Mass
407.120579
InChI
InChI=1S/C24H23ClNOP/c1-17(2)21-16-27-24(26-21)23-20(25)14-9-15-22(23)28(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,21H,16H2,1-2H3/t21-/m0/s1
InChIKey
WHYRFODUDIYTCE-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
121.27
TPSA
21.59
LogP / Solubility
WLOGP
4.9
MLOGP
4.34
XLogP3
6.1
Consensus LogP
5.11
Log S (ESOL)
-5.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
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)
-1.73
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
3.5
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