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CAS 1492-30-4 4-NITROPHENYL PALMITATE molecular structure lightbox
CAS RN: 1492-30-4

4-NITROPHENYL PALMITATE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251025 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260418 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20250422 25g In stock Wuhan Inquiry
Batchno.20251125 5g In stock Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-059267
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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: 25g
  • Available purity: ＞97%
  • 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 1492-30-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

1492-30-4 / (4-nitrophenyl) hexadecanoate

Standard CAS: 1492-30-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1492-30-4
Multi CAS
No
Molecular Formula
C22H35NO4
Molecular Weight
377.500000
Exact Mass
377.256609
SMILES
CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3
InChIKey
LVZSQWIWCANHPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
109.04
TPSA
69.44

LogP / Solubility

WLOGP
6.98
MLOGP
6.17
XLogP3
8.8
Consensus LogP
7.32
Log S (ESOL)
-5.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.83
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)
-0.07

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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