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CAS 830-03-5 4-Nitrophenyl Acetate molecular structure lightbox
CAS RN: 830-03-5

4-Nitrophenyl Acetate

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260609 100g In stock Inquiry
Batchno.20260618 1g In stock Inquiry
Batchno.20251001 25g In stock Inquiry
Batchno.20260430 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260411 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260531 1kg In stock Shanghai Inquiry
Batchno.20250321 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250927 500g Out of stock Inquiry
Batchno.20251219 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250528 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-190998
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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: 100g
  • 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 830-03-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

830-03-5 / 2-(4-nitrophenyl)acetic acid

Standard CAS: 830-03-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
830-03-5
Multi CAS
Yes
Molecular Formula
C8H7NO4
Molecular Weight
181.150000
Exact Mass
181.037508
InChI
InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey
YBADLXQNJCMBKR-UHFFFAOYSA-N

Physical Properties

Physical Description
Pale yellow solid; [Merck Index] Yellow powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.44
TPSA
80.44

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1.4
Consensus LogP
1.23
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96

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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