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CAS 77423-14-4 4-CARBOXYLIC-ISATOIC ANHYDRIDE molecular structure lightbox
CAS RN: 77423-14-4

4-CARBOXYLIC-ISATOIC ANHYDRIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260514 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-186986
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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: ≥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 77423-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

77423-14-4 / 2,4-dioxo-1H-3,1-benzoxazine-7-carboxylic acid

Standard CAS: 77423-14-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77423-14-4
Multi CAS
Yes
Molecular Formula
C9H5NO5
Molecular Weight
207.140000
Exact Mass
207.016772
InChI
InChI=1S/C9H5NO5/c11-7(12)4-1-2-5-6(3-4)10-9(14)15-8(5)13/h1-3H,(H,10,14)(H,11,12)
InChIKey
LSXSNVAJTUIEHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.06
TPSA
100.37

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
0.5
Consensus LogP
0.28
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86

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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