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

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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

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

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

H-bond donors

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

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.06

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 116016-57-0

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 116016-57-0 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.