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CAS 116016-57-0 5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 116016-57-0

5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID

  • Product code: SSC-016043
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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, 0.25g, 5g, 10g, 1g
  • Available purity: ≥95%
  • 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 116016-57-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 3 In Stock Hong Kong Inquiry
10g ≥95% 3 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry

116016-57-0 / 5-(4-hydroxyphenyl)thiophene-2-carboxylic acid

5-(4-Hydroxyphenyl)thiophene-2-carboxylic Acid | MFCD27500654 | 2-Thiophenecarboxylic acid, 5-(4-hydroxyphenyl)-

Standard CAS: 116016-57-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116016-57-0
Multi CAS
No
Molecular Formula
C11H8O3S
Molecular Weight
220.250000
Exact Mass
220.019415
SMILES
C1=CC(=CC=C1C2=CC=C(S2)C(=O)O)O
InChI
InChI=1S/C11H8O3S/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6,12H,(H,13,14)
InChIKey
KUFHZPOQBMGGDB-UHFFFAOYSA-N
Synonyms
5-(4-Hydroxyphenyl)thiophene-2-carboxylic Acid MFCD27500654 2-Thiophenecarboxylic acid, 5-(4-hydroxyphenyl)- 5-(4-Hydroxyphenyl)-2-thiophenecarboxylic acid SCHEMBL2083801

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.38
TPSA
57.53

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
2.8
Consensus LogP
2.7
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.06

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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