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CAS 29681-45-6 Methyl 5-Methylnicotinate molecular structure lightbox
CAS RN: 29681-45-6

Methyl 5-Methylnicotinate

Product Availability

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8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260131 100g In stock Inquiry
Batchno.20250310 1g In stock Inquiry
Batchno.20250901 250mg In stock Inquiry
Batchno.20260409 25g In stock Inquiry
Batchno.20250424 50mg In stock Inquiry
Batchno.20260219 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250214 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250531 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai, Chongqing Inquiry
  • Product code: SSC-132759
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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, 25g, 100g, 500g
  • Available purity: >97%
  • 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 29681-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 3 In Stock Beijing Inquiry
100g >97% 2 In Stock Beijing Inquiry
500g >97% 0 Out of Stock Shanghai Inquiry

29681-45-6 / methyl 5-methylpyridine-3-carboxylate

Standard CAS: 29681-45-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29681-45-6
Multi CAS
Yes
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
InChI
InChI=1S/C8H9NO2/c1-6-3-7(5-9-4-6)8(10)11-2/h3-5H,1-2H3
InChIKey
KQILMMLAGGFMCM-UHFFFAOYSA-N

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

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