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CAS 133928-61-7 4-Chloro-N-phenylpicolinamide molecular structure lightbox
CAS RN: 133928-61-7

4-Chloro-N-phenylpicolinamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251203 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-041022
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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 133928-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

133928-61-7 / 4-chloro-N-phenylpyridine-2-carboxamide

Standard CAS: 133928-61-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133928-61-7
Multi CAS
No
Molecular Formula
C12H9ClN2O
Molecular Weight
232.660000
Exact Mass
232.040341
SMILES
C1=CC=C(C=C1)NC(=O)C2=NC=CC(=C2)Cl
InChI
InChI=1S/C12H9ClN2O/c13-9-6-7-14-11(8-9)12(16)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKey
OXCAWSPZTRRBLP-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
1
Molar refractivity
63.64
TPSA
41.99

LogP / Solubility

WLOGP
2.99
MLOGP
2.63
XLogP3
2.6
Consensus LogP
2.74
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-2.02

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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