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CAS 5400-78-2 METHYL M-NITROPHENYL CARBINOL molecular structure lightbox
CAS RN: 5400-78-2

METHYL M-NITROPHENYL CARBINOL

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250123 100g In stock Inquiry
Batchno.20251218 10g In stock Inquiry
Batchno.20250411 1g In stock Inquiry
Batchno.20260513 25g In stock Inquiry
Batchno.20251217 25mg In stock Inquiry
Batchno.20250925 5g In stock Inquiry
  • Product code: SSC-161502
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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: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 5400-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

5400-78-2 / 1-(3-nitrophenyl)ethanol

Standard CAS: 5400-78-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5400-78-2
Multi CAS
Yes
Molecular Formula
C8H9NO3
Molecular Weight
167.160000
Exact Mass
167.058243
InChI
InChI=1S/C8H9NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-6,10H,1H3
InChIKey
FRPQAVXDUWMFCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.73
TPSA
63.37

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.6
Consensus LogP
1.57
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately 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)
-2.57

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
2

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