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CAS 2126892-51-9 INDEX NAME NOT YET ASSIGNED molecular structure lightbox
CAS RN: 2126892-51-9

INDEX NAME NOT YET ASSIGNED

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260328 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-101619
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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 2126892-51-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

2126892-51-9 / (4S)-4-benzyl-2-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]dibenzofuran-4-yl]-4,5-dihydro-1,3-oxazole

Standard CAS: 2126892-51-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2126892-51-9
Multi CAS
No
Molecular Formula
C32H26N2O3
Molecular Weight
486.600000
Exact Mass
486.194343
SMILES
C1[C@@H](N=C(O1)C2=CC=CC3=C2OC4=C3C=CC=C4C5=N[C@H](CO5)CC6=CC=CC=C6)CC7=CC=CC=C7
InChI
InChI=1S/C32H26N2O3/c1-3-9-21(10-4-1)17-23-19-35-31(33-23)27-15-7-13-25-26-14-8-16-28(30(26)37-29(25)27)32-34-24(20-36-32)18-22-11-5-2-6-12-22/h1-16,23-24H,17-20H2/t23-,24-/m0/s1
InChIKey
UMNQCKRUNPVGRM-ZEQRLZLVSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
25
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
146.57
TPSA
56.32

LogP / Solubility

WLOGP
6.36
MLOGP
5.63
XLogP3
6.7
Consensus LogP
6.23
Log S (ESOL)
-6.97
Class (ESOL)
Insoluble
Log S (Ali)
-8.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.82
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)
-1.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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