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CAS 50340-79-9 5-(METHOXYCARBONYL)THIOPHENE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 50340-79-9

5-(METHOXYCARBONYL)THIOPHENE-2-CARBOXYLIC ACID

  • Product code: SSC-156804
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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: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 50340-79-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry

50340-79-9 / 5-methoxycarbonylthiophene-2-carboxylic acid

Standard CAS: 50340-79-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50340-79-9
Multi CAS
Yes
Molecular Formula
C7H6O4S
Molecular Weight
186.190000
Exact Mass
185.998680
InChI
InChI=1S/C7H6O4S/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9)
InChIKey
HYHZGBOWRWIEGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.62
TPSA
63.6

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
1.6
Consensus LogP
1.3
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
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)
-2.98

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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