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CAS 1760-46-9 Diphenylacetic Anhydride molecular structure lightbox
CAS RN: 1760-46-9

Diphenylacetic Anhydride

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251007 1g In stock Inquiry
Batchno.20251107 5g In stock Inquiry
  • Product code: SSC-077157
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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: ≥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 1760-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1760-46-9 / (2,2-diphenylacetyl) 2,2-diphenylacetate

Standard CAS: 1760-46-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1760-46-9
Multi CAS
No
Molecular Formula
C28H22O3
Molecular Weight
406.500000
Exact Mass
406.156895
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H22O3/c29-27(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)31-28(30)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
InChIKey
YZMRCMTTYLBDPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.07
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
120.55
TPSA
43.37

LogP / Solubility

WLOGP
5.72
MLOGP
5.06
XLogP3
6.5
Consensus LogP
5.76
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.77
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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