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CAS 620592-45-2 4-NITRO-3,5,6,7-TETRAHYDRO-2H-S-INDACEN-1-ONE molecular structure lightbox
CAS RN: 620592-45-2

4-NITRO-3,5,6,7-TETRAHYDRO-2H-S-INDACEN-1-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251130 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-171094
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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 620592-45-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

620592-45-2 / 4-nitro-3,5,6,7-tetrahydro-2H-s-indacen-1-one

Standard CAS: 620592-45-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
620592-45-2
Multi CAS
Yes
Molecular Formula
C12H11NO3
Molecular Weight
217.220000
Exact Mass
217.073893
InChI
InChI=1S/C12H11NO3/c14-10-5-4-8-6-7-2-1-3-9(7)12(11(8)10)13(15)16/h6H,1-5H2
InChIKey
MKAURAAKBUQECD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
57.77
TPSA
60.21

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
2.3
Consensus LogP
2.15
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately 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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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