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CAS 115299-13-3 2-(2-Furyl)thiazolidine-4-carboxylic acid molecular structure lightbox
CAS RN: 115299-13-3

2-(2-Furyl)thiazolidine-4-carboxylic acid

  • Product code: SSC-015049
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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 115299-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

115299-13-3 / 2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid

2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid | RefChem:460980 | 847-998-1

Standard CAS: 115299-13-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115299-13-3
Multi CAS
Yes
Molecular Formula
C8H5NO3S
Molecular Weight
195.200000
Exact Mass
194.999014
SMILES
C1=COC(=C1)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C8H5NO3S/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
InChIKey
HYMZKFYFRXCTCA-UHFFFAOYSA-N
Synonyms
2-(furan-2-yl)-1,3-thiazole-4-carboxylic acid RefChem:460980 847-998-1 2-(2-furyl)-1,3-thiazole-4-carboxylic acid MFCD08235208

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.78
TPSA
63.33

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
1.6
Consensus LogP
1.85
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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