CAS RN: 82437-74-9
4-(4-METHOXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID
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.20250501 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS82437-74-9
- Purity/Analytical Methods: >99.0%
82437-74-9 / 4-(4-methoxyphenyl)thiophene-2-carboxylic acid
Basic Information
CAS
82437-74-9
Multi CAS
Yes
Molecular Formula
C12H10O3S
Molecular Weight
234.270000
Exact Mass
234.035065
InChI
InChI=1S/C12H10O3S/c1-15-10-4-2-8(3-5-10)9-6-11(12(13)14)16-7-9/h2-7H,1H3,(H,13,14)
InChIKey
NWNYSAILYSWCEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.27
TPSA
46.53
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
3.1
Consensus LogP
2.99
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93
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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