CAS RN: 691393-97-2
Methyl 3-amino-5-(4-ethoxyphenyl)-2-thiophenecarboxylate
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.20260508 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS691393-97-2
- Purity/Analytical Methods: >99.0%
691393-97-2 / methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate
Basic Information
CAS
691393-97-2
Multi CAS
No
Molecular Formula
C14H15NO3S
Molecular Weight
277.340000
Exact Mass
277.077265
InChI
InChI=1S/C14H15NO3S/c1-3-18-10-6-4-9(5-7-10)12-8-11(15)13(19-12)14(16)17-2/h4-8H,3,15H2,1-2H3
InChIKey
KOGXJKJPBBNEFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.68
TPSA
61.55
LogP / Solubility
WLOGP
3.18
MLOGP
2.81
XLogP3
3.7
Consensus LogP
3.23
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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