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CAS 30780-19-9 4-(4-nitrophenyl)butan-2-one molecular structure lightbox
CAS RN: 30780-19-9

4-(4-nitrophenyl)butan-2-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250823 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-135792
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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 30780-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

30780-19-9 / 4-(4-nitrophenyl)butan-2-one

Standard CAS: 30780-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30780-19-9
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
InChI
InChI=1S/C10H11NO3/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h4-7H,2-3H2,1H3
InChIKey
BQCIKEHCNRRAKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
52.1
TPSA
60.21

LogP / Solubility

WLOGP
2.12
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-2.4

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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