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CAS 951006-39-6 Ethyl 1,4-dihydro-6-iodo-8-methyl-4-oxoquinoline-3-carboxylate molecular structure lightbox
CAS RN: 951006-39-6

Ethyl 1,4-dihydro-6-iodo-8-methyl-4-oxoquinoline-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250407 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-210328
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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 951006-39-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

951006-39-6 / ethyl 6-iodo-8-methyl-4-oxo-1H-quinoline-3-carboxylate

Standard CAS: 951006-39-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
951006-39-6
Multi CAS
Yes
Molecular Formula
C13H12InO3
Molecular Weight
357.140000
Exact Mass
356.986190
InChI
InChI=1S/C13H12INO3/c1-3-18-13(17)10-6-15-11-7(2)4-8(14)5-9(11)12(10)16/h4-6H,3H2,1-2H3,(H,15,16)
InChIKey
BHLKSAHVKKYWON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.98
TPSA
59.16

LogP / Solubility

WLOGP
2.62
MLOGP
2.32
XLogP3
3
Consensus LogP
2.65
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

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

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