[email protected]
CAS 81864-61-1 7-Acetamido-8-nitro-3,4-Dihydro-2H-1,5-benzodioxepine molecular structure lightbox
CAS RN: 81864-61-1

7-Acetamido-8-nitro-3,4-Dihydro-2H-1,5-benzodioxepine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250407 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-190147
GET A QUOTE
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: 1g, 5g, 0.25g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 81864-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 4 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry

81864-61-1 / N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide

Standard CAS: 81864-61-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81864-61-1
Multi CAS
No
Molecular Formula
C11H12N2O5
Molecular Weight
252.220000
Exact Mass
252.074621
InChI
InChI=1S/C11H12N2O5/c1-7(14)12-8-5-10-11(6-9(8)13(15)16)18-4-2-3-17-10/h5-6H,2-4H2,1H3,(H,12,14)
InChIKey
DYQUOBYQMFRMHM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.01
TPSA
90.7

LogP / Solubility

WLOGP
1.71
MLOGP
1.52
XLogP3
1.6
Consensus LogP
1.61
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us