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CAS 54453-94-0 Ethyl 6-chloro-2,4-diMethylnicotinate molecular structure lightbox
CAS RN: 54453-94-0

Ethyl 6-chloro-2,4-diMethylnicotinate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-162152
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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 54453-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

54453-94-0 / ethyl 6-chloro-2,4-dimethylpyridine-3-carboxylate

Standard CAS: 54453-94-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54453-94-0
Multi CAS
No
Molecular Formula
C10H12CLNO2
Molecular Weight
213.660000
Exact Mass
213.055656
InChI
InChI=1S/C10H12ClNO2/c1-4-14-10(13)9-6(2)5-8(11)12-7(9)3/h5H,4H2,1-3H3
InChIKey
KSAOHRAUUCSNRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.68
TPSA
39.19

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.8
Consensus LogP
2.52
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.23

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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