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CAS 853109-24-7 methyl 2-chloro-1,6-dihydro-1-methyl-6-oxopyridine-3-carboxylate molecular structure lightbox
CAS RN: 853109-24-7

methyl 2-chloro-1,6-dihydro-1-methyl-6-oxopyridine-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-193664
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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 853109-24-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

853109-24-7 / methyl 2-chloro-1-methyl-6-oxopyridine-3-carboxylate

Standard CAS: 853109-24-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
853109-24-7
Multi CAS
No
Molecular Formula
C8H8CLNO3
Molecular Weight
201.610000
Exact Mass
201.019271
InChI
InChI=1S/C8H8ClNO3/c1-10-6(11)4-3-5(7(10)9)8(12)13-2/h3-4H,1-2H3
InChIKey
AIFMMWUXXYXRAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
48.03
TPSA
48.3

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.8
Consensus LogP
0.79
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.36

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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