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CAS 142667-06-9 2-(5-(methoxycarbonyl)thiophen-2-yl)acetic acid molecular structure lightbox
CAS RN: 142667-06-9

2-(5-(methoxycarbonyl)thiophen-2-yl)acetic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250628 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS142667-06-9
  • Purity/Analytical Methods: >99.0%
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142667-06-9 / 2-(5-methoxycarbonylthiophen-2-yl)acetic acid

Standard CAS: 142667-06-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142667-06-9
Multi CAS
No
Molecular Formula
C8H8O4S
Molecular Weight
200.210000
Exact Mass
200.014330
SMILES
COC(=O)C1=CC=C(S1)CC(=O)O
InChI
InChI=1S/C8H8O4S/c1-12-8(11)6-3-2-5(13-6)4-7(9)10/h2-3H,4H2,1H3,(H,9,10)
InChIKey
FWGNSHYUHXVVHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47
TPSA
63.6

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
1.3
Consensus LogP
1.16
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-3.12

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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