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CAS 160744-13-8 2-Thiophenecarboxylic acid, 5-(2-hydroxyethyl)-, methyl ester molecular structure lightbox
CAS RN: 160744-13-8

2-Thiophenecarboxylic acid, 5-(2-hydroxyethyl)-, methyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251229 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-068541
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 160744-13-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

160744-13-8 / methyl 5-(2-hydroxyethyl)thiophene-2-carboxylate

Standard CAS: 160744-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160744-13-8
Multi CAS
No
Molecular Formula
C8H10O3S
Molecular Weight
186.230000
Exact Mass
186.035065
SMILES
COC(=O)C1=CC=C(S1)CCO
InChI
InChI=1S/C8H10O3S/c1-11-8(10)7-3-2-6(12-7)4-5-9/h2-3,9H,4-5H2,1H3
InChIKey
AWHZEVJFJOIQBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.45
TPSA
46.53

LogP / Solubility

WLOGP
1.07
MLOGP
0.94
XLogP3
1.4
Consensus LogP
1.14
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-3.1

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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