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CAS 15785-54-3 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID molecular structure lightbox
CAS RN: 15785-54-3

4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-066581
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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: ＞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 15785-54-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

15785-54-3 / 4-hydroxy-3-methoxy-5-nitrobenzoic acid

Standard CAS: 15785-54-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15785-54-3
Multi CAS
No
Molecular Formula
C8H7NO6
Molecular Weight
213.140000
Exact Mass
213.027337
SMILES
COC1=CC(=CC(=C1O)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C8H7NO6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)
InChIKey
AEDVAGWYAKIOIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
48.27
TPSA
109.9

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1.4
Consensus LogP
1.1
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.31

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 4 of 4 companies. For more detailed information, please visit ECHA C&L website.

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