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CAS 176433-46-8 2-Chloro-5-forMyl-nicotinonitrile molecular structure lightbox
CAS RN: 176433-46-8

2-Chloro-5-forMyl-nicotinonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260312 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-077272
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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 176433-46-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

176433-46-8 / 2-chloro-5-formylpyridine-3-carbonitrile

Standard CAS: 176433-46-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
176433-46-8
Multi CAS
No
Molecular Formula
C7H3ClN2O
Molecular Weight
166.560000
Exact Mass
165.993390
SMILES
C1=C(C=NC(=C1C#N)Cl)C=O
InChI
InChI=1S/C7H3ClN2O/c8-7-6(2-9)1-5(4-11)3-10-7/h1,3-4H
InChIKey
JMLGDNLEUWDYJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
39.35
TPSA
53.75

LogP / Solubility

WLOGP
1.42
MLOGP
1.24
XLogP3
1
Consensus LogP
1.22
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.73

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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