CAS RN: 5751-81-5
2-Thiophenecarboxylic acid, 5-Methyl-, ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260415 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5751-81-5
- Purity/Analytical Methods: >99.0%
5751-81-5 / ethyl 5-methylthiophene-2-carboxylate
Basic Information
CAS
5751-81-5
Multi CAS
No
Molecular Formula
C8H10O2S
Molecular Weight
170.230000
Exact Mass
170.040151
InChI
InChI=1S/C8H10O2S/c1-3-10-8(9)7-5-4-6(2)11-7/h4-5H,3H2,1-2H3
InChIKey
NYXZOVWQCSRKMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
45.01
TPSA
26.3
LogP / Solubility
WLOGP
2.23
MLOGP
1.96
XLogP3
2.6
Consensus LogP
2.26
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 5753-50-4 2-[(2-AMINOETHYL)(METHYL)AMINO]ETHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5753-50-4.gif)
