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CAS 1214389-46-4 6-Hydroxy-5-phenylnicotinic acid molecular structure lightbox
CAS RN: 1214389-46-4

6-Hydroxy-5-phenylnicotinic acid

  • Product code: SSC-023910
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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: 0.1g, 0.25g
  • 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 1214389-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1214389-46-4 / 6-oxo-5-phenyl-1H-pyridine-3-carboxylic acid

Standard CAS: 1214389-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1214389-46-4
Multi CAS
No
Molecular Formula
C12H9NO3
Molecular Weight
215.200000
Exact Mass
215.058243
SMILES
C1=CC=C(C=C1)C2=CC(=CNC2=O)C(=O)O
InChI
InChI=1S/C12H9NO3/c14-11-10(8-4-2-1-3-5-8)6-9(7-13-11)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChIKey
UKWVOBNURAYUJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.46
TPSA
70.16

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.1
Consensus LogP
1.46
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

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

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