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CAS 178686-24-3 3-ETHOXY-4-HYDROXY-5-NITROBENZALDEHYDE molecular structure lightbox
CAS RN: 178686-24-3

3-ETHOXY-4-HYDROXY-5-NITROBENZALDEHYDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260411 1g / 5g / 50g Out of stock 5-7 business days Inquiry
  • Product code: SSC-079521
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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: 25g, 5g, 0.25g, 1g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 178686-24-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
5g >97% 4 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry

178686-24-3 / 3-ethoxy-4-hydroxy-5-nitrobenzaldehyde

Standard CAS: 178686-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
178686-24-3
Multi CAS
No
Molecular Formula
C9H9NO5
Molecular Weight
211.170000
Exact Mass
211.048072
SMILES
CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=O
InChI
InChI=1S/C9H9NO5/c1-2-15-8-4-6(5-11)3-7(9(8)12)10(13)14/h3-5,12H,2H2,1H3
InChIKey
MDWLNBVKBMKTKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.32
TPSA
89.67

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.7
Consensus LogP
1.51
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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