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CAS 1006708-91-3 (4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole molecular structure lightbox
CAS RN: 1006708-91-3

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

Product Availability

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250910 100mg In stock Shanghai Inquiry
Batchno.20251004 1g In stock Shanghai Inquiry
Batchno.20260307 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250720 50mg In stock Shanghai Inquiry
Batchno.20260425 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260526 10mg / 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-001343
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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: ≥95%
  • 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 1006708-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1006708-91-3 / [2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane

(4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-(1,1-dimethylethyl)-4,5-dihydrooxazole | (4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole | (R)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole

Standard CAS: 1006708-91-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1006708-91-3
Multi CAS
Yes
Molecular Formula
C28H23F9NOP
Molecular Weight
591.400000
Exact Mass
591.137355
SMILES
CC(C)(C)[C@@H]1COC(=N1)C2=C(C=CC(=C2)C(F)(F)F)P(C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F
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-/m0/s1
InChIKey
FIQFFQBQQIDYQG-QHCPKHFHSA-N
Synonyms
(4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-(1,1-dimethylethyl)-4,5-dihydrooxazole (4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole (R)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole MFCD32670827 [2-[(4R)-4-tert-butyl-4,5-dihydrooxazol-2-yl]-4-(trifluoromethyl)phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane

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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