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CAS 944836-22-0 (4S)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole molecular structure lightbox
CAS RN: 944836-22-0

(4S)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250417 100mg In stock Shanghai Inquiry
Batchno.20250405 1g Out of stock Inquiry
Batchno.20260210 250mg In stock Shanghai Inquiry
Batchno.20251008 50mg In stock Shanghai Inquiry
  • Product code: SSC-209375
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 944836-22-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

944836-22-0 / [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane

Standard CAS: 944836-22-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
944836-22-0
Multi CAS
Yes
Molecular Formula
C28F9H23NOP
Molecular Weight
591.400000
Exact Mass
591.137355
InChI
InChI=1S/C28H23F9NOP/c1-25(2,3)23-15-39-24(38-23)21-14-18(28(35,36)37)8-13-22(21)40(19-9-4-16(5-10-19)26(29,30)31)20-11-6-17(7-12-20)27(32,33)34/h4-14,23H,15H2,1-3H3/t23-/m1/s1
InChIKey
FIQFFQBQQIDYQG-HSZRJFAPSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
135.89
TPSA
21.59

LogP / Solubility

WLOGP
7.69
MLOGP
6.82
XLogP3
8.6
Consensus LogP
7.7
Log S (ESOL)
-8.42
Class (ESOL)
Insoluble
Log S (Ali)
-9.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.87

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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