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CAS 387-46-2 2,6-Dihydroxybenzaldehyde molecular structure lightbox
CAS RN: 387-46-2

2,6-Dihydroxybenzaldehyde

  • Product code: SSC-146327
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ≥98%
  • 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 387-46-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 2 In Stock Hong Kong Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

387-46-2 / 3-(furan-2-yl)prop-2-enoic acid

Standard CAS: 387-46-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
387-46-2
Multi CAS
Yes
Molecular Formula
C7H6O3
Molecular Weight
138.120000
Exact Mass
138.031694
InChI
InChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)
InChIKey
ZCJLOOJRNPHKAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.38
TPSA
50.44

LogP / Solubility

WLOGP
1.38
MLOGP
1.2
XLogP3
1.2
Consensus LogP
1.26
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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)
-2.58

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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