![CAS 873072-60-7 3-Methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/873072-60-7.gif)
CAS RN: 873072-60-7
3-Methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
- Product code: SSC-197127
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
873072-60-7 / 3-methyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
Basic Information
CAS
873072-60-7
Multi CAS
No
Molecular Formula
C7H6N2O2S
Molecular Weight
182.200000
Exact Mass
182.014999
InChI
InChI=1S/C7H6N2O2S/c1-3-4-2-5(7(10)11)12-6(4)9-8-3/h2H,1H3,(H,8,9)(H,10,11)
InChIKey
ANYZOKDMLCFZNW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
8
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.67
TPSA
65.98
LogP / Solubility
WLOGP
1.63
MLOGP
1.43
XLogP3
1.8
Consensus LogP
1.62
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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