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CAS 31839-20-0 5-Hydroxy-4-methoxy-2-nitrobenzoic acid molecular structure lightbox
CAS RN: 31839-20-0

5-Hydroxy-4-methoxy-2-nitrobenzoic acid

  • Product code: SSC-137287
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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: 5g, 10g, 25g, 1g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 31839-20-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
10g ≥95% 4 In Stock Beijing Inquiry
25g ≥95% 4 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

31839-20-0 / 3-hydroxy-4-methoxy-2-nitrobenzoic acid

Standard CAS: 31839-20-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31839-20-0
Multi CAS
Yes
Molecular Formula
C8H7NO6
Molecular Weight
213.140000
Exact Mass
213.027337
InChI
InChI=1S/C8H7NO6/c1-15-7-3-5(9(13)14)4(8(11)12)2-6(7)10/h2-3,10H,1H3,(H,11,12)
InChIKey
VAFJDIUJDDCMHN-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
1.8
Consensus LogP
1.23
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

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