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CAS 1152313-76-2 (4S)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-5,5-diMethyl-4-(1-Methylethyl)-oxazole molecular structure lightbox
CAS RN: 1152313-76-2

(4S)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-5,5-diMethyl-4-(1-Methylethyl)-oxazole

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250429 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20260512 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260629 1g In stock Shanghai Inquiry
Batchno.20260526 250mg In stock Shanghai Inquiry
  • Product code: SSC-014912
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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 1152313-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

1152313-76-2 / [2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]phenyl]-diphenylphosphane

DTXSID10746341 | (4S)-2-[2-(Diphenylphosphanyl)phenyl]-5,5-dimethyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole | (4S)-2-(2-(Diphenylphosphanyl)phenyl)-5,5-dimethyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole

Standard CAS: 1152313-76-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1152313-76-2
Multi CAS
Yes
Molecular Formula
C26H28NOP
Molecular Weight
401.500000
Exact Mass
401.190852
SMILES
CC(C)[C@H]1C(OC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)(C)C
InChI
InChI=1S/C26H28NOP/c1-19(2)24-26(3,4)28-25(27-24)22-17-11-12-18-23(22)29(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-19,24H,1-4H3/t24-/m0/s1
InChIKey
JGUZEKBWCGNHHN-DEOSSOPVSA-N
Synonyms
DTXSID10746341 (4S)-2-[2-(Diphenylphosphanyl)phenyl]-5,5-dimethyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole (4S)-2-(2-(Diphenylphosphanyl)phenyl)-5,5-dimethyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole RefChem:1050509 DTXCID50697085

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
125.48
TPSA
21.59

LogP / Solubility

WLOGP
5.02
MLOGP
4.45
XLogP3
6.1
Consensus LogP
5.19
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
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)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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