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CAS 2356229-58-6 5-Hexynoic acid, 6-[2-(methylsulfonyl)-5-pyrimidinyl]- molecular structure lightbox
CAS RN: 2356229-58-6

5-Hexynoic acid, 6-[2-(methylsulfonyl)-5-pyrimidinyl]-

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250322 100g In stock Shanghai Inquiry
Batchno.20250620 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250717 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250602 10g In stock Shanghai Inquiry
Batchno.20250723 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250406 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260527 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250329 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-114599
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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, 1g, 5g, 0.25g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 2356229-58-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
10g >95% 2 In Stock Shenzhen Inquiry
25g >95% 2 In Stock Beijing Inquiry

2356229-58-6 / 6-(2-methylsulfonylpyrimidin-5-yl)hex-5-ynoic acid

Standard CAS: 2356229-58-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2356229-58-6
Multi CAS
No
Molecular Formula
C11H12N2O4S
Molecular Weight
268.290000
Exact Mass
268.051778
SMILES
CS(=O)(=O)C1=NC=C(C=N1)C#CCCCC(=O)O
InChI
InChI=1S/C11H12N2O4S/c1-18(16,17)11-12-7-9(8-13-11)5-3-2-4-6-10(14)15/h7-8H,2,4,6H2,1H3,(H,14,15)
InChIKey
KOABBLJRZNHNOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.51
TPSA
97.22

LogP / Solubility

WLOGP
0.49
MLOGP
0.44
XLogP3
0.3
Consensus LogP
0.41
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.01

Drug-likeness / Medicinal Chemistry

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

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