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CAS 885950-46-9 5-Iodo-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid Methyl ester molecular structure lightbox
CAS RN: 885950-46-9

5-Iodo-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid Methyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251011 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-199704
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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: 5g
  • 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 885950-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

885950-46-9 / methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate

Standard CAS: 885950-46-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885950-46-9
Multi CAS
Yes
Molecular Formula
C7H6InO3
Molecular Weight
279.030000
Exact Mass
278.939240
InChI
InChI=1S/C7H6INO3/c1-12-7(11)4-2-5(8)6(10)9-3-4/h2-3H,1H3,(H,9,10)
InChIKey
LHGAGXUKDZFFSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.12
TPSA
59.16

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
0.4
Consensus LogP
0.62
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-3.88

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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