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CAS 3998-88-7 Ethyl 2-Chloro-6-methylisonicotinate molecular structure lightbox
CAS RN: 3998-88-7

Ethyl 2-Chloro-6-methylisonicotinate

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251017 10g In stock Inquiry
Batchno.20250313 1g In stock Inquiry
Batchno.20251224 250mg In stock Inquiry
Batchno.20260308 25g In stock Inquiry
Batchno.20250314 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 250mg / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-147819
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3998-88-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 4 In Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry

3998-88-7 / ethyl 2-chloro-6-methylpyridine-4-carboxylate

Standard CAS: 3998-88-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3998-88-7
Multi CAS
No
Molecular Formula
C9H10CLNO2
Molecular Weight
199.630000
Exact Mass
199.040006
InChI
InChI=1S/C9H10ClNO2/c1-3-13-9(12)7-4-6(2)11-8(10)5-7/h4-5H,3H2,1-2H3
InChIKey
UMAAIDIASQFLTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
49.94
TPSA
39.19

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
2.4
Consensus LogP
2.19
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.36

Drug-likeness / Medicinal Chemistry

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

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