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CAS 1415226-40-2 5-(3-Chlorophenyl)-3-hydroxypicolinic acid molecular structure lightbox
CAS RN: 1415226-40-2

5-(3-Chlorophenyl)-3-hydroxypicolinic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260214 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-051838
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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: ＞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 1415226-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1415226-40-2 / 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid

Standard CAS: 1415226-40-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1415226-40-2
Multi CAS
No
Molecular Formula
C12H8ClNO3
Molecular Weight
249.650000
Exact Mass
249.019271
SMILES
C1=CC(=CC(=C1)Cl)C2=CC(=C(N=C2)C(=O)O)O
InChI
InChI=1S/C12H8ClNO3/c13-9-3-1-2-7(4-9)8-5-10(15)11(12(16)17)14-6-8/h1-6,15H,(H,16,17)
InChIKey
KMZAXKDGIXGPOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.31
TPSA
70.42

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
3.2
Consensus LogP
2.83
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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