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CAS 3002-48-0 Tetrabutylammonium p-Nitrophenoxide molecular structure lightbox
CAS RN: 3002-48-0

Tetrabutylammonium p-Nitrophenoxide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250316 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-133582
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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: 5g
  • 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 3002-48-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Hong Kong Inquiry

3002-48-0 / 4-nitrophenolate;tetrabutylazanium

Standard CAS: 3002-48-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3002-48-0
Multi CAS
Yes
Molecular Formula
C22H40N2O3
Molecular Weight
380.600000
Exact Mass
380.303893
InChI
InChI=1S/C16H36N.C6H5NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-6-3-1-5(2-4-6)7(9)10/h5-16H2,1-4H3;1-4,8H/q+1;/p-1
InChIKey
JWRHOHUAHHYNBL-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
13
H-bond acceptors
3
Molar refractivity
111.9
TPSA
66.2

LogP / Solubility

WLOGP
5.67
MLOGP
5.01
XLogP3
5.67
Consensus LogP
5.45
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.01

Drug-likeness / Medicinal Chemistry

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

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