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CAS 6050-13-1 Diphenic Anhydride molecular structure lightbox
CAS RN: 6050-13-1

Diphenic Anhydride

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251013 1g In stock Inquiry
Batchno.20250405 5g In stock Inquiry
  • Product code: SSC-169098
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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: 25g
  • 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 6050-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

6050-13-1 / benzo[d][2]benzoxepine-5,7-dione

Standard CAS: 6050-13-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6050-13-1
Multi CAS
Yes
Molecular Formula
C14H8O3
Molecular Weight
224.210000
Exact Mass
224.047344
InChI
InChI=1S/C14H8O3/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(16)17-13/h1-8H
InChIKey
RTSGJTANVBJFFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
H-bond acceptors
3
Molar refractivity
66.26
TPSA
47.28

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.8
Consensus LogP
2.38
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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