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CAS 2725-81-7 6-Nitrocoumarin molecular structure lightbox
CAS RN: 2725-81-7

6-Nitrocoumarin

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250220 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251105 100g Out of stock Inquiry
Batchno.20260627 1g In stock Inquiry
Batchno.20260611 25g In stock Inquiry
Batchno.20250418 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260220 1g In stock Shanghai Inquiry
Batchno.20251231 25g In stock Shanghai Inquiry
Batchno.20260620 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-126193
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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 2725-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

2725-81-7 / 6-nitrochromen-2-one

Standard CAS: 2725-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2725-81-7
Multi CAS
No
Molecular Formula
C9H5NO4
Molecular Weight
191.140000
Exact Mass
191.021858
SMILES
C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]
InChI
InChI=1S/C9H5NO4/c11-9-4-1-6-5-7(10(12)13)2-3-8(6)14-9/h1-5H
InChIKey
RMERXEXZXIVNBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
49.14
TPSA
73.35

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.2
Consensus LogP
1.47
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

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
1.5

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