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CAS 19933-25-6 3-(3-thienyl)-1H-pyrazole(SALTDATA: 0.7H2O) molecular structure lightbox
CAS RN: 19933-25-6

3-(3-thienyl)-1H-pyrazole(SALTDATA: 0.7H2O)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260606 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19933-25-6
  • Purity/Analytical Methods: >99.0%
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19933-25-6 / 5-thiophen-3-yl-1H-pyrazole

Standard CAS: 19933-25-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19933-25-6
Multi CAS
No
Molecular Formula
C7H6N2S
Molecular Weight
150.200000
Exact Mass
150.025169
SMILES
C1=CSC=C1C2=CC=NN2
InChI
InChI=1S/C7H6N2S/c1-3-8-9-7(1)6-2-4-10-5-6/h1-5H,(H,8,9)
InChIKey
UOAGMESLUAMTIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.9
TPSA
28.68

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
1.6
Consensus LogP
1.87
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.12

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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