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CAS 1040274-10-9 (S)-(-)-7[4(S)-(Benzyl)oxazol-2-yl]-7-di(3,5-di-t-butylphenyl)phosphino-2,23,3tetrahydro-1,1spirobiindane, min. 97% (Sa,S)-DTB-Bn-SIPHOX molecular structure lightbox
CAS RN: 1040274-10-9

(S)-(-)-7[4(S)-(Benzyl)oxazol-2-yl]-7-di(3,5-di-t-butylphenyl)phosphino-2,23,3tetrahydro-1,1spirobiindane, min. 97% (Sa,S)-DTB-Bn-SIPHOX

Product Availability

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 100mg Out of stock Inquiry
Batchno.20251023 25mg Out of stock Inquiry
Batchno.20260127 50mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 25mg / 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-005793
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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 1040274-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1040274-10-9 / [(3S)-4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]-bis(3,5-ditert-butylphenyl)phosphane

[(3S)-4'-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(3,5-ditert-butylphenyl)phosphane | MFCD17018765 | (S)-(-)-7[4(S)-(Benzyl)oxazol-2-yl]-7-di(3,5-di-t-butylphenyl)phosphino-2,23,3tetrahydro-1,1spirobiindane, min. 97% (Sa,S)-DTB-Bn-SIPHOX

Standard CAS: 1040274-10-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1040274-10-9
Multi CAS
Yes
Molecular Formula
C55H66NOP
Molecular Weight
788.100000
Exact Mass
787.488203
SMILES
CC(C)(C)C1=CC(=CC(=C1)P(C2=CC=CC3=C2[C@@]4(CCC5=C4C(=CC=C5)C6=N[C@H](CO6)CC7=CC=CC=C7)CC3)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C55H66NOP/c1-51(2,3)39-29-40(52(4,5)6)32-44(31-39)58(45-33-41(53(7,8)9)30-42(34-45)54(10,11)12)47-23-17-21-38-25-27-55(49(38)47)26-24-37-20-16-22-46(48(37)55)50-56-43(35-57-50)28-36-18-14-13-15-19-36/h13-23,29-34,43H,24-28,35H2,1-12H3/t43-,55-/m0/s1
InChIKey
UAWQRALEHCBVCD-QVROPDMNSA-N
Synonyms
[(3S)-4'-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(3,5-ditert-butylphenyl)phosphane MFCD17018765 (S)-(-)-7[4(S)-(Benzyl)oxazol-2-yl]-7-di(3,5-di-t-butylphenyl)phosphino-2,23,3tetrahydro-1,1spirobiindane, min. 97% (Sa,S)-DTB-Bn-SIPHOX [(3S)-4-[(4S)-4-Benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]-bis(3,5-ditert-butylphenyl)phosphane (4S)-4-BENZYL-2-[(1S)-7'-[BIS(3,5-DI-TERT-BUTYLPHENYL)PHOSPHANYL]-2,2',3,3'-TETRAHYDRO-1,1'-SPIROBI[INDEN]-7-YL]-4,5-DIHYDRO-1,3-OXAZOLE

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
30
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
250.23
TPSA
21.59

LogP / Solubility

WLOGP
12.2
MLOGP
10.81
XLogP3
15.7
Consensus LogP
12.9
Log S (ESOL)
-12.4
Class (ESOL)
Insoluble
Log S (Ali)
-14.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.63
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)
1.14

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
8.5

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