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CAS 1418117-91-5 Methyl 2,6-Dichloro-3-(MethylaMino)isonicotinate molecular structure lightbox
CAS RN: 1418117-91-5

Methyl 2,6-Dichloro-3-(MethylaMino)isonicotinate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-052510
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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: 0.25g, 0.1g, 1g
  • 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 1418117-91-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 4 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Beijing Inquiry

1418117-91-5 / methyl 2,6-dichloro-3-(methylamino)pyridine-4-carboxylate

Standard CAS: 1418117-91-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1418117-91-5
Multi CAS
No
Molecular Formula
C8H8Cl2N2O2
Molecular Weight
235.060000
Exact Mass
233.996283
SMILES
CNC1=C(N=C(C=C1C(=O)OC)Cl)Cl
InChI
InChI=1S/C8H8Cl2N2O2/c1-11-6-4(8(13)14-2)3-5(9)12-7(6)10/h3,11H,1-2H3
InChIKey
JRUXBJRCWKJHPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.14
TPSA
51.22

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
3.2
Consensus LogP
2.46
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-2.58

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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