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CAS 221532-00-9 4-Isopropoxy-4′-nitrobenzophenone molecular structure lightbox
CAS RN: 221532-00-9

4-Isopropoxy-4′-nitrobenzophenone

Product Availability

Choose a grade to view its available package options.

4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250210 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260228 10g Out of stock Inquiry
Batchno.20250722 1g Out of stock Inquiry
Batchno.20251018 5g Out of stock Inquiry
  • Product code: SSC-106575
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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: 10g, 5g, 1g, 25g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 221532-00-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 4 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
25g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

221532-00-9 / (4-nitrophenyl)-(4-propan-2-yloxyphenyl)methanone

Standard CAS: 221532-00-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221532-00-9
Multi CAS
No
Molecular Formula
C16H15NO4
Molecular Weight
285.290000
Exact Mass
285.100108
SMILES
CC(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H15NO4/c1-11(2)21-15-9-5-13(6-10-15)16(18)12-3-7-14(8-4-12)17(19)20/h3-11H,1-2H3
InChIKey
TVRVBFNDNURZJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
78.73
TPSA
69.44

LogP / Solubility

WLOGP
3.61
MLOGP
3.19
XLogP3
4.1
Consensus LogP
3.63
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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