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CAS 1186663-66-0 Methyl 5-(Methylsulfonyl)nicotinate molecular structure lightbox
CAS RN: 1186663-66-0

Methyl 5-(Methylsulfonyl)nicotinate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250516 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-018596
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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, 0.25g, 0.1g
  • 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 1186663-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 4 In Stock Beijing Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry

1186663-66-0 / methyl 5-methylsulfonylpyridine-3-carboxylate

METHYL 5-(METHYLSULFONYL)NICOTINATE | methyl 5-methylsulfonylpyridine-3-carboxylate | MFCD12828715

Standard CAS: 1186663-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1186663-66-0
Multi CAS
No
Molecular Formula
C8H9NO4S
Molecular Weight
215.230000
Exact Mass
215.025229
SMILES
COC(=O)C1=CC(=CN=C1)S(=O)(=O)C
InChI
InChI=1S/C8H9NO4S/c1-13-8(10)6-3-7(5-9-4-6)14(2,11)12/h3-5H,1-2H3
InChIKey
KZKQGUVWZYKJBN-UHFFFAOYSA-N
Synonyms
METHYL 5-(METHYLSULFONYL)NICOTINATE methyl 5-methylsulfonylpyridine-3-carboxylate MFCD12828715 Methyl5-(Methylsulfonyl)nicotinate SCHEMBL5700071

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
48.69
TPSA
73.33

LogP / Solubility

WLOGP
0.27
MLOGP
0.24
XLogP3
-0.1
Consensus LogP
0.14
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.84

Drug-likeness / Medicinal Chemistry

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

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