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CAS 222986-51-8 4-(6-AMINO-PYRIDIN-3-YL)-BENZOIC ACID molecular structure lightbox
CAS RN: 222986-51-8

4-(6-AMINO-PYRIDIN-3-YL)-BENZOIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251125 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-108544
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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 222986-51-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

222986-51-8 / 4-(6-amino-3-pyridinyl)benzoic acid

Standard CAS: 222986-51-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
222986-51-8
Multi CAS
No
Molecular Formula
C12H10N2O2
Molecular Weight
214.220000
Exact Mass
214.074228
SMILES
C1=CC(=CC=C1C2=CN=C(C=C2)N)C(=O)O
InChI
InChI=1S/C12H10N2O2/c13-11-6-5-10(7-14-11)8-1-3-9(4-2-8)12(15)16/h1-7H,(H2,13,14)(H,15,16)
InChIKey
DAAPYOWCDXFHOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.04
TPSA
76.21

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
1.7
Consensus LogP
1.84
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-2.59

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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