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CAS 343566-70-1 6-(BUT-3-EN-1-YL)-2-HYDROXYPYRIDINE-3-CARBOXYLIC ACID(WXC06299) molecular structure lightbox
CAS RN: 343566-70-1

6-(BUT-3-EN-1-YL)-2-HYDROXYPYRIDINE-3-CARBOXYLIC ACID(WXC06299)

  • Product code: SSC-140708
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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: 1g
  • Available purity: ≥95%
  • 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 343566-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

343566-70-1 / 6-but-3-enyl-2-oxo-1H-pyridine-3-carboxylic acid

Standard CAS: 343566-70-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
343566-70-1
Multi CAS
No
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
InChI
InChI=1S/C10H11NO3/c1-2-3-4-7-5-6-8(10(13)14)9(12)11-7/h2,5-6H,1,3-4H2,(H,11,12)(H,13,14)
InChIKey
MYVZEVHZIPBPCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.54
TPSA
70.16

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1.9
Consensus LogP
1.38
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-3.05

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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