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CAS 163222-32-0 (3R,4S)-4-(4-(Benzyloxy)Phenyl)-1-(4-Fluorophenyl)-3-((S)-3-(4- Fluorophenyl)-3-Hydroxypropyl)Azetidin-2-One molecular structure lightbox
CAS RN: 163222-32-0

(3R,4S)-4-(4-(Benzyloxy)Phenyl)-1-(4-Fluorophenyl)-3-((S)-3-(4- Fluorophenyl)-3-Hydroxypropyl)Azetidin-2-One

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250516 10g In stock Shanghai Inquiry
Batchno.20250102 1g In stock Shanghai Inquiry
Batchno.20260103 250mg In stock Shanghai Inquiry
Batchno.20260512 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20251104 25g Out of stock Inquiry
Batchno.20250904 5g In stock Shanghai Inquiry
  • Product code: SSC-070888
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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: 5g
  • 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 163222-32-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

163222-32-0 / (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one

Standard CAS: 163222-32-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
163222-32-0
Multi CAS
No
Molecular Formula
C31H27F2NO3
Molecular Weight
499.500000
Exact Mass
499.195900
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@@H]3[C@H](C(=O)N3C4=CC=C(C=C4)F)CC[C@@H](C5=CC=C(C=C5)F)O
InChI
InChI=1S/C31H27F2NO3/c32-24-10-6-22(7-11-24)29(35)19-18-28-30(34(31(28)36)26-14-12-25(33)13-15-26)23-8-16-27(17-9-23)37-20-21-4-2-1-3-5-21/h1-17,28-30,35H,18-20H2/t28-,29+,30-/m1/s1
InChIKey
KEYVFYMGVLFXQK-DYIKCSJPSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.19
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
137.93
TPSA
49.77

LogP / Solubility

WLOGP
6.76
MLOGP
5.99
XLogP3
5.8
Consensus LogP
6.18
Log S (ESOL)
-7.08
Class (ESOL)
Insoluble
Log S (Ali)
-8.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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