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CAS 26447-85-8 Methyl 2,2-dithienylglycolate molecular structure lightbox
CAS RN: 26447-85-8

Methyl 2,2-dithienylglycolate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250205 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-124194
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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: 5g, 10g, 25g, 1g, 100g
  • 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 26447-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 5 In Stock Shenzhen Inquiry
10g ≥97% 5 In Stock Shanghai Inquiry
25g ≥97% 5 In Stock Shanghai Inquiry
1g ≥97% 4 In Stock Hong Kong Inquiry
100g ≥97% 4 In Stock Beijing Inquiry

26447-85-8 / methyl 2-hydroxy-2,2-dithiophen-2-ylacetate

Standard CAS: 26447-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26447-85-8
Multi CAS
No
Molecular Formula
C11H10O3S2
Molecular Weight
254.300000
Exact Mass
254.007137
InChI
InChI=1S/C11H10O3S2/c1-14-10(12)11(13,8-4-2-6-15-8)9-5-3-7-16-9/h2-7,13H,1H3
InChIKey
SYHWYWHVEQQDMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.65
TPSA
46.53

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.1
Consensus LogP
2.09
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

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

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