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CAS 116985-92-3 METHYL 3-METHYL-4-PYRIDINECARBOXYLATE molecular structure lightbox
CAS RN: 116985-92-3

METHYL 3-METHYL-4-PYRIDINECARBOXYLATE

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250413 1g In stock Inquiry
Batchno.20251014 250mg In stock Inquiry
Batchno.20260513 5g In stock Inquiry
  • Product code: SSC-016804
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 116985-92-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Beijing Inquiry
25g >95% 0 Out of Stock Shenzhen Inquiry

116985-92-3 / methyl 3-methylpyridine-4-carboxylate

METHYL 3-METHYL-4-PYRIDINECARBOXYLATE | RefChem:815576 | 863-034-2

Standard CAS: 116985-92-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116985-92-3
Multi CAS
Yes
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
SMILES
CC1=C(C=CN=C1)C(=O)OC
InChI
InChI=1S/C8H9NO2/c1-6-5-9-4-3-7(6)8(10)11-2/h3-5H,1-2H3
InChIKey
UWOZODSMOOALPG-UHFFFAOYSA-N
Synonyms
METHYL 3-METHYL-4-PYRIDINECARBOXYLATE RefChem:815576 863-034-2 methyl 3-methylisonicotinate Methyl 3-methylpyridine-4-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.31
TPSA
39.19

LogP / Solubility

WLOGP
1.18
MLOGP
1.03
XLogP3
1.1
Consensus LogP
1.1
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-2.81

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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