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CAS 18760-47-9 2-Thiophenepentanoic acid, d-oxo-, Methyl ester molecular structure lightbox
CAS RN: 18760-47-9

2-Thiophenepentanoic acid, d-oxo-, Methyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 1g In stock Shanghai Inquiry
  • Product code: SSC-087186
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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, 0.1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 18760-47-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

18760-47-9 / methyl 5-oxo-5-thiophen-2-ylpentanoate

Standard CAS: 18760-47-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18760-47-9
Multi CAS
No
Molecular Formula
C10H12O3S
Molecular Weight
212.270000
Exact Mass
212.050715
SMILES
COC(=O)CCCC(=O)C1=CC=CS1
InChI
InChI=1S/C10H12O3S/c1-13-10(12)6-2-4-8(11)9-5-3-7-14-9/h3,5,7H,2,4,6H2,1H3
InChIKey
RVSQTFYOFNOGEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
54.52
TPSA
43.37

LogP / Solubility

WLOGP
2.27
MLOGP
2
XLogP3
1.7
Consensus LogP
1.99
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly 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)
-2.4

Drug-likeness / Medicinal Chemistry

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

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