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CAS 1603172-68-4 methyl 6-iodopyrazine-2-carboxylate molecular structure lightbox
CAS RN: 1603172-68-4

methyl 6-iodopyrazine-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250711 100mg / 250mg / 500mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-068315
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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 1603172-68-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1603172-68-4 / methyl 6-iodopyrazine-2-carboxylate

Standard CAS: 1603172-68-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1603172-68-4
Multi CAS
No
Molecular Formula
C6H5IN2O2
Molecular Weight
264.020000
Exact Mass
263.939570
SMILES
COC(=O)C1=CN=CC(=N1)I
InChI
InChI=1S/C6H5IN2O2/c1-11-6(10)4-2-8-3-5(7)9-4/h2-3H,1H3
InChIKey
KSNWVEBQMJXUDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.09
TPSA
52.08

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
XLogP3
0.4
Consensus LogP
0.68
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-3.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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