CAS RN: 31618-80-1
3-METHYL-5-(2-THIENYL)-1H-PYRAZOLE
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.20260509 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS31618-80-1
- Purity/Analytical Methods: >99.0%
31618-80-1 / 5-methyl-3-thiophen-2-yl-1H-pyrazole
Basic Information
CAS
31618-80-1
Multi CAS
Yes
Molecular Formula
C8H8N2S
Molecular Weight
164.230000
Exact Mass
164.040819
InChI
InChI=1S/C8H8N2S/c1-6-5-7(10-9-6)8-3-2-4-11-8/h2-5H,1H3,(H,9,10)
InChIKey
SVPUABRSNLEURW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.64
TPSA
28.68
LogP / Solubility
WLOGP
2.45
MLOGP
2.15
XLogP3
2
Consensus LogP
2.2
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-1.98
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
-
methyl 3-methyl-4-oxopiperidine-1-carboxylate
- CAS RN: 31633-72-4
- Product Code: SSC-137057
-
MESOXALIC ACID MONOHYDRATE DISODIUM SALT
- CAS RN: 31635-99-1
- Product Code: starshine_CAS31635-99-1
- Purity/Analytical method: >99.0%
-
1,4-Bis-Trimethylsilanyl-1,4-Dihydro-Pyrazine
- CAS RN: 31639-80-2
- Product Code: starshine_CAS31639-80-2
- Purity/Analytical method: >99.0%
-
2-(CHLOROMETHYL)PYRIDINE 1-OXIDE
- CAS RN: 31640-94-5
- Product Code: starshine_CAS31640-94-5
- Purity/Analytical method: >99.0%
-
-
