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CAS 68043-53-8 6-Nitrochroman-4-one molecular structure lightbox
CAS RN: 68043-53-8

6-Nitrochroman-4-one

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250420 100g In stock Shanghai Inquiry
Batchno.20250910 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250218 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batchno.20260528 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250615 25g In stock Shanghai Inquiry
Batchno.20260313 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-177765
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 68043-53-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 2 In Stock Hong Kong Inquiry
1g ≥98% 2 In Stock Hong Kong Inquiry
5g ≥98% 2 In Stock Shenzhen Inquiry

68043-53-8 / 6-nitro-2,3-dihydrochromen-4-one

Standard CAS: 68043-53-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68043-53-8
Multi CAS
Yes
Molecular Formula
C9H7NO4
Molecular Weight
193.160000
Exact Mass
193.037508
InChI
InChI=1S/C9H7NO4/c11-8-3-4-14-9-2-1-6(10(12)13)5-7(8)9/h1-2,5H,3-4H2
InChIKey
KUAWMWVXZMQZLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
47.54
TPSA
69.44

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
1.2
Consensus LogP
1.38
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

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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