![CAS 214542-49-1 2-(4-METHOXYPHENYL)-2,6-DIHYDRO-4H-THIENO[3,4-C]PYRAZOL-3-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3224472.gif)
CAS RN: 214542-49-1
2-(4-METHOXYPHENYL)-2,6-DIHYDRO-4H-THIENO[3,4-C]PYRAZOL-3-AMINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251212 | 100mg / 250mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS214542-49-1
- Purity/Analytical Methods: >99.0%
214542-49-1 / 2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
Basic Information
CAS
214542-49-1
Multi CAS
No
Molecular Formula
C12H13N3OS
Molecular Weight
247.320000
Exact Mass
247.077933
SMILES
COC1=CC=C(C=C1)N2C(=C3CSCC3=N2)N
InChI
InChI=1S/C12H13N3OS/c1-16-9-4-2-8(3-5-9)15-12(13)10-6-17-7-11(10)14-15/h2-5H,6-7,13H2,1H3
InChIKey
LKGIXENABMEMIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.53
TPSA
53.07
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
1.6
Consensus LogP
1.92
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-2.66
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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