![CAS 648411-35-2 1H-Thieno[3,2-c]pyrazole-5-carboxylic acid, 3-amino-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/648411-35-2.gif)
CAS RN: 648411-35-2
1H-Thieno[3,2-c]pyrazole-5-carboxylic acid, 3-amino-, methyl ester
- Product code: SSC-174510
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: 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
648411-35-2 / methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate
Basic Information
CAS
648411-35-2
Multi CAS
Yes
Molecular Formula
C7H7N3O2S
Molecular Weight
197.220000
Exact Mass
197.025898
InChI
InChI=1S/C7H7N3O2S/c1-12-7(11)4-2-3-5(13-4)6(8)10-9-3/h2H,1H3,(H3,8,9,10)
InChIKey
BZTKCTZKSHFJDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
8
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
49.72
TPSA
81
LogP / Solubility
WLOGP
0.99
MLOGP
0.87
XLogP3
1.2
Consensus LogP
1.02
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
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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