CAS RN: 1017794-49-8
5-(1H-Pyrazol-4-yl)-2-thiophenecarboxylic 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.20250424 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1017794-49-8
- Purity/Analytical Methods: >99.0%
1017794-49-8 / 5-(1H-pyrazol-4-yl)thiophene-2-carboxylic acid
5-(1H-Pyrazol-4-yl)thiophene-2-carboxylic Acid | 5-(1h-pyrazol-4-yl)-2-thiophenecarboxylic acid | MFCD08056305
Basic Information
CAS
1017794-49-8
Multi CAS
No
Molecular Formula
C8H6N2O2S
Molecular Weight
194.210000
Exact Mass
194.014999
SMILES
C1=C(SC(=C1)C(=O)O)C2=CNN=C2
InChI
InChI=1S/C8H6N2O2S/c11-8(12)7-2-1-6(13-7)5-3-9-10-4-5/h1-4H,(H,9,10)(H,11,12)
InChIKey
VNNAXEJGTOYJEP-UHFFFAOYSA-N
Synonyms
5-(1H-Pyrazol-4-yl)thiophene-2-carboxylic Acid
5-(1h-pyrazol-4-yl)-2-thiophenecarboxylic acid
MFCD08056305
2-Thiophenecarboxylic acid, 5-(1H-pyrazol-4-yl)-
SCHEMBL3725272
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.86
TPSA
65.98
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.4
Consensus LogP
1.62
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
tert-Butyl 3-sulfanylpiperidin-1-carboxylate
- CAS RN: 1017798-34-3
- Product Code: SSC-002810
-
Ethyl 3,5-Dibromo-1-Methyl-1H-Pyrazole-4-Carboxylate
- CAS RN: 1017802-88-8
- Product Code: SSC-002816
-
2-[4-[3,5-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 1017967-97-3
- Product Code: starshine_CAS1017967-97-3
- Purity/Analytical method: >99.0%
-
-
5-(4-tert-butylphenyl)-4,5-dihydroisoxazole-3-carboxylic acid
- CAS RN: 1018046-53-1
- Product Code: SSC-002830
-
5-(4-chlorophenyl)-4,5-dihydroisoxazole-3-carboxylic acid
- CAS RN: 1018051-43-8
- Product Code: SSC-002831
![CAS 1017967-97-3 2-[4-[3,5-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1017967-97-3.gif)
